N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine

C17H25N7 — CID 136716923

IUPACN-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCc1cc2n(n1)C[C@@H](CNC1CCN(c3ncccn3)CC1)CN2
InChIInChI=1S/C17H25N7/c1-13-9-16-21-11-14(12-24(16)22-13)10-20-15-3-7-23(8-4-15)17-18-5-2-6-19-17/h2,5-6,9,14-15,20-21H,3-4,7-8,10-12H2,1H3/t14-/m0/s1
InChIKeyHJGUYJSJFYMMET-AWEZNQCLSA-N
MW327.44 g/mol
LogP1.28
Rot. Bonds4

About N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine

N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 136716923) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID136716923
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC NameN-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCc1cc2n(n1)C[C@@H](CNC1CCN(c3ncccn3)CC1)CN2
InChIInChI=1S/C17H25N7/c1-13-9-16-21-11-14(12-24(16)22-13)10-20-15-3-7-23(8-4-15)17-18-5-2-6-19-17/h2,5-6,9,14-15,20-21H,3-4,7-8,10-12H2,1H3/t14-/m0/s1
InChIKeyHJGUYJSJFYMMET-AWEZNQCLSA-N
XLogP1.28
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine with MolForge

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Related Compounds

N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 136905152
(3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
CID 136718074
(3S)-1-benzyl-3-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
CID 136718077
(4S)-1-methyl-N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 136905220
1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
CID 136718045
(1S)-N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 136817395
(2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine
CID 136905119
1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine
CID 136877397
N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine
CID 136905240
(2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol
CID 136905643
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136769193
(1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol
CID 136857245

Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine (CID 136716923) is N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine is Cc1cc2n(n1)C[C@@H](CNC1CCN(c3ncccn3)CC1)CN2.
What is the InChIKey of N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is HJGUYJSJFYMMET-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N7/c1-13-9-16-21-11-14(12-24(16)22-13)10-20-15-3-7-23(8-4-15)17-18-5-2-6-19-17/h2,5-6,9,14-15,20-21H,3-4,7-8,10-12H2,1H3/t14-/m0/s1.
What are the key properties of N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 327.44 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 136716923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).