6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine

C21H24FN7 — CID 163348673

IUPAC6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCN(CC1CCN(c2ncnc3ncccc23)CC1)c1ncnc(C2CC2)c1F
InChIInChI=1S/C21H24FN7/c1-28(21-17(22)18(15-4-5-15)24-12-27-21)11-14-6-9-29(10-7-14)20-16-3-2-8-23-19(16)25-13-26-20/h2-3,8,12-15H,4-7,9-11H2,1H3
InChIKeyXNSPRJLYZMEDHK-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.18
Rot. Bonds5

About 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine

6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine (PubChem CID 163348673) has the molecular formula C21H24FN7 and a molecular weight of 393.47 g/mol. Its IUPAC name is 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine
PubChem CID163348673
Molecular FormulaC21H24FN7
Molecular Weight393.47 g/mol
Exact Mass393.21
IUPAC Name6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCN(CC1CCN(c2ncnc3ncccc23)CC1)c1ncnc(C2CC2)c1F
InChIInChI=1S/C21H24FN7/c1-28(21-17(22)18(15-4-5-15)24-12-27-21)11-14-6-9-29(10-7-14)20-16-3-2-8-23-19(16)25-13-26-20/h2-3,8,12-15H,4-7,9-11H2,1H3
InChIKeyXNSPRJLYZMEDHK-UHFFFAOYSA-N
XLogP3.18
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 163350786
5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 155974837
4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine
CID 126873131
6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126941964
6-methyl-2-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126864247
6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944686
N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
CID 163346447
N-[1-(6-cyclopropyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901980
6-[[1-(6-cyclopropyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine
CID 154575410
N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 172881810
5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 163344230
5-fluoro-N,6-dimethyl-N-[[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 163348541

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine (CID 163348673) is 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine is CN(CC1CCN(c2ncnc3ncccc23)CC1)c1ncnc(C2CC2)c1F.
What is the InChIKey of 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is XNSPRJLYZMEDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7/c1-28(21-17(22)18(15-4-5-15)24-12-27-21)11-14-6-9-29(10-7-14)20-16-3-2-8-23-19(16)25-13-26-20/h2-3,8,12-15H,4-7,9-11H2,1H3.
What are the key properties of 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine?
6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 393.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 163348673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).