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

C15H22N6 — CID 56746879

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C)n(CC(C)Nc2ncnc3c2CCNC3)n1
InChIInChI=1S/C15H22N6/c1-10-6-12(3)21(20-10)8-11(2)19-15-13-4-5-16-7-14(13)17-9-18-15/h6,9,11,16H,4-5,7-8H2,1-3H3,(H,17,18,19)
InChIKeyXMVWBYRSJRTATP-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.44
Rot. Bonds4

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

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56746879) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56746879
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C)n(CC(C)Nc2ncnc3c2CCNC3)n1
InChIInChI=1S/C15H22N6/c1-10-6-12(3)21(20-10)8-11(2)19-15-13-4-5-16-7-14(13)17-9-18-15/h6,9,11,16H,4-5,7-8H2,1-3H3,(H,17,18,19)
InChIKeyXMVWBYRSJRTATP-UHFFFAOYSA-N
XLogP1.44
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.44
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]-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]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56746879) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-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]-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]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is Cc1cc(C)n(CC(C)Nc2ncnc3c2CCNC3)n1.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is XMVWBYRSJRTATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-10-6-12(3)21(20-10)8-11(2)19-15-13-4-5-16-7-14(13)17-9-18-15/h6,9,11,16H,4-5,7-8H2,1-3H3,(H,17,18,19).
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 1.44, 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]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56746879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).