4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine

C14H21N7 — CID 163310995

IUPAC4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine
SMILESCc1cc(N2Cc3nnc(C(C)C)n3[C@@H](C)C2)nc(N)n1
InChIInChI=1S/C14H21N7/c1-8(2)13-19-18-12-7-20(6-10(4)21(12)13)11-5-9(3)16-14(15)17-11/h5,8,10H,6-7H2,1-4H3,(H2,15,16,17)/t10-/m0/s1
InChIKeyVCWAEEGCKFEHNZ-JTQLQIEISA-N
MW287.37 g/mol
LogP1.66
Rot. Bonds2

About 4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine

4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine (PubChem CID 163310995) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine
PubChem CID163310995
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine
SMILESCc1cc(N2Cc3nnc(C(C)C)n3[C@@H](C)C2)nc(N)n1
InChIInChI=1S/C14H21N7/c1-8(2)13-19-18-12-7-20(6-10(4)21(12)13)11-5-9(3)16-14(15)17-11/h5,8,10H,6-7H2,1-4H3,(H2,15,16,17)/t10-/m0/s1
InChIKeyVCWAEEGCKFEHNZ-JTQLQIEISA-N
XLogP1.66
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine with MolForge

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Related Compounds

N,6-dimethyl-2-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine
CID 165425442
(5S)-5-methyl-7-(5-methylsulfonyl-2-pyridinyl)-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 165427884
4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80834015
2-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-benzothiazole
CID 165427379
4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80834370
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
(3-methyl-1,2-oxazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164688648
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
(3-fluoro-5-methylphenyl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164694013
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride
CID 139084866
[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-2H-triazol-4-yl)methanone
CID 164696986
4-methyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-2-amine
CID 103850288

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine (CID 163310995) is 4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine is Cc1cc(N2Cc3nnc(C(C)C)n3[C@@H](C)C2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine?
The InChIKey is VCWAEEGCKFEHNZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N7/c1-8(2)13-19-18-12-7-20(6-10(4)21(12)13)11-5-9(3)16-14(15)17-11/h5,8,10H,6-7H2,1-4H3,(H2,15,16,17)/t10-/m0/s1.
What are the key properties of 4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine?
4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine has a molecular weight of 287.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine is sourced from PubChem (CID 163310995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).