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

C16H23N5S — CID 97404530

IUPAC4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCc1nc(CN2CCc3nc(NC(C)C)nc(C)c3C2)cs1
InChIInChI=1S/C16H23N5S/c1-10(2)17-16-18-11(3)14-8-21(6-5-15(14)20-16)7-13-9-22-12(4)19-13/h9-10H,5-8H2,1-4H3,(H,17,18,20)
InChIKeyONXKXIPSRZJMJJ-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.93
Rot. Bonds4

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

4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 97404530) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID97404530
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Name4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCc1nc(CN2CCc3nc(NC(C)C)nc(C)c3C2)cs1
InChIInChI=1S/C16H23N5S/c1-10(2)17-16-18-11(3)14-8-21(6-5-15(14)20-16)7-13-9-22-12(4)19-13/h9-10H,5-8H2,1-4H3,(H,17,18,20)
InChIKeyONXKXIPSRZJMJJ-UHFFFAOYSA-N
XLogP2.93
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 97404530) is 4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is Cc1nc(CN2CCc3nc(NC(C)C)nc(C)c3C2)cs1.
What is the InChIKey of 4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is ONXKXIPSRZJMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-10(2)17-16-18-11(3)14-8-21(6-5-15(14)20-16)7-13-9-22-12(4)19-13/h9-10H,5-8H2,1-4H3,(H,17,18,20).
What are the key properties of 4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 317.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 97404530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).