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

C15H23N7 — CID 165425442

IUPACN,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
SMILESCNc1cc(C)nc(N2Cc3nnc(C(C)C)n3[C@@H](C)C2)n1
InChIInChI=1S/C15H23N7/c1-9(2)14-20-19-13-8-21(7-11(4)22(13)14)15-17-10(3)6-12(16-5)18-15/h6,9,11H,7-8H2,1-5H3,(H,16,17,18)/t11-/m0/s1
InChIKeyYBWXJEDPYCTQGJ-NSHDSACASA-N
MW301.40 g/mol
LogP2.12
Rot. Bonds3

About 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

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 (PubChem CID 165425442) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID165425442
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC NameN,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
SMILESCNc1cc(C)nc(N2Cc3nnc(C(C)C)n3[C@@H](C)C2)n1
InChIInChI=1S/C15H23N7/c1-9(2)14-20-19-13-8-21(7-11(4)22(13)14)15-17-10(3)6-12(16-5)18-15/h6,9,11H,7-8H2,1-5H3,(H,16,17,18)/t11-/m0/s1
InChIKeyYBWXJEDPYCTQGJ-NSHDSACASA-N
XLogP2.12
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine
CID 56724753
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 95969720
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
(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
(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
(3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol
CID 72938544
(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
(3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol
CID 97188302
[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 72920814
N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112908851
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164694244

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1cc(C)nc(N2Cc3nnc(C(C)C)n3[C@@H](C)C2)n1.
What is the InChIKey of 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?
The InChIKey is YBWXJEDPYCTQGJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N7/c1-9(2)14-20-19-13-8-21(7-11(4)22(13)14)15-17-10(3)6-12(16-5)18-15/h6,9,11H,7-8H2,1-5H3,(H,16,17,18)/t11-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 301.40 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165425442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).