4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C16H20N6S — CID 133415153

IUPAC4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCC(C)(C)c1nc(CCNc2ncnc3nc(N)ccc23)cs1
InChIInChI=1S/C16H20N6S/c1-16(2,3)15-21-10(8-23-15)6-7-18-13-11-4-5-12(17)22-14(11)20-9-19-13/h4-5,8-9H,6-7H2,1-3H3,(H3,17,18,19,20,22)
InChIKeyHCIFNCPUMBNVLV-UHFFFAOYSA-N
MW328.45 g/mol
LogP3.02
Rot. Bonds4

About 4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133415153) has the molecular formula C16H20N6S and a molecular weight of 328.45 g/mol. Its IUPAC name is 4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133415153
Molecular FormulaC16H20N6S
Molecular Weight328.45 g/mol
Exact Mass328.15
IUPAC Name4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCC(C)(C)c1nc(CCNc2ncnc3nc(N)ccc23)cs1
InChIInChI=1S/C16H20N6S/c1-16(2,3)15-21-10(8-23-15)6-7-18-13-11-4-5-12(17)22-14(11)20-9-19-13/h4-5,8-9H,6-7H2,1-3H3,(H3,17,18,19,20,22)
InChIKeyHCIFNCPUMBNVLV-UHFFFAOYSA-N
XLogP3.02
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine with MolForge

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Related Compounds

4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 86805500
[4-[2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]methanol
CID 133434894
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
4-N-[2-(1,3-benzothiazol-2-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 86817522
4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407916
4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133449329
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 39746305
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine
CID 133415137
4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 154866636
4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407874
4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409681

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133415153) is 4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is CC(C)(C)c1nc(CCNc2ncnc3nc(N)ccc23)cs1.
What is the InChIKey of 4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is HCIFNCPUMBNVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-16(2,3)15-21-10(8-23-15)6-7-18-13-11-4-5-12(17)22-14(11)20-9-19-13/h4-5,8-9H,6-7H2,1-3H3,(H3,17,18,19,20,22).
What are the key properties of 4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 328.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133415153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).