2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine

C18H19FN6S — CID 139461623

IUPAC2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine
SMILESCC1c2cnc(-c3cscn3)nc2CCN1c1cc(N(C)C)cc(F)n1
InChIInChI=1S/C18H19FN6S/c1-11-13-8-20-18(15-9-26-10-21-15)22-14(13)4-5-25(11)17-7-12(24(2)3)6-16(19)23-17/h6-11H,4-5H2,1-3H3
InChIKeyJXDXJKZOPURKGP-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.32
Rot. Bonds3

About 2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine

2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine (PubChem CID 139461623) has the molecular formula C18H19FN6S and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine
PubChem CID139461623
Molecular FormulaC18H19FN6S
Molecular Weight370.46 g/mol
Exact Mass370.14
IUPAC Name2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine
SMILESCC1c2cnc(-c3cscn3)nc2CCN1c1cc(N(C)C)cc(F)n1
InChIInChI=1S/C18H19FN6S/c1-11-13-8-20-18(15-9-26-10-21-15)22-14(13)4-5-25(11)17-7-12(24(2)3)6-16(19)23-17/h6-11H,4-5H2,1-3H3
InChIKeyJXDXJKZOPURKGP-UHFFFAOYSA-N
XLogP3.32
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine with MolForge

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Related Compounds

4-[6-(4,6-difluoro-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
CID 139461644
4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
CID 142340826
4-[6-[6-(2,2-difluoroethoxy)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
CID 142340807
1-[3-[[2-fluoro-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]oxy]propyl]pyrrolidin-2-one;1-[3-[[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one
CID 158601169
4-[2-methyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-pyridinyl]piperazin-2-one
CID 142340816
(5S)-6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122681023
4-fluoro-N,N-dimethyl-6-[(5R)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-2-amine
CID 122681038
6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139381324
3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole
CID 175702696
2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide
CID 139367430
6-[6-fluoro-4-(4-methylsulfanylpiperazin-1-yl)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 146519308
6-[6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139367435

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine?
The IUPAC name of 2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine (CID 139461623) is 2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine?
The canonical SMILES for 2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine is CC1c2cnc(-c3cscn3)nc2CCN1c1cc(N(C)C)cc(F)n1.
What is the InChIKey of 2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine?
The InChIKey is JXDXJKZOPURKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6S/c1-11-13-8-20-18(15-9-26-10-21-15)22-14(13)4-5-25(11)17-7-12(24(2)3)6-16(19)23-17/h6-11H,4-5H2,1-3H3.
What are the key properties of 2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine?
2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine has a molecular weight of 370.46 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine is sourced from PubChem (CID 139461623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).