N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C16H24N6 — CID 56903573

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C)n(CC(C)Nc2nc(C)nc3c2CCNC3)n1
InChIInChI=1S/C16H24N6/c1-10-7-12(3)22(21-10)9-11(2)18-16-14-5-6-17-8-15(14)19-13(4)20-16/h7,11,17H,5-6,8-9H2,1-4H3,(H,18,19,20)
InChIKeyJQPFEFQOIJGIBA-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.74
Rot. Bonds4

About N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56903573) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56903573
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C)n(CC(C)Nc2nc(C)nc3c2CCNC3)n1
InChIInChI=1S/C16H24N6/c1-10-7-12(3)22(21-10)9-11(2)18-16-14-5-6-17-8-15(14)19-13(4)20-16/h7,11,17H,5-6,8-9H2,1-4H3,(H,18,19,20)
InChIKeyJQPFEFQOIJGIBA-UHFFFAOYSA-N
XLogP1.74
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56903573) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is Cc1cc(C)n(CC(C)Nc2nc(C)nc3c2CCNC3)n1.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is JQPFEFQOIJGIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-10-7-12(3)22(21-10)9-11(2)18-16-14-5-6-17-8-15(14)19-13(4)20-16/h7,11,17H,5-6,8-9H2,1-4H3,(H,18,19,20).
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 300.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56903573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).