(1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H24N4 — CID 136737906

IUPAC(1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc2n(n1)C[C@@H](CN[C@@H]1CCCc3ccccc31)CN2
InChIInChI=1S/C18H24N4/c1-13-9-18-20-11-14(12-22(18)21-13)10-19-17-8-4-6-15-5-2-3-7-16(15)17/h2-3,5,7,9,14,17,19-20H,4,6,8,10-12H2,1H3/t14-,17+/m0/s1
InChIKeyACWZHVJHFOWKIF-WMLDXEAASA-N
MW296.42 g/mol
LogP2.90
Rot. Bonds3

About (1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 136737906) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is (1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID136737906
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name(1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc2n(n1)C[C@@H](CN[C@@H]1CCCc3ccccc31)CN2
InChIInChI=1S/C18H24N4/c1-13-9-18-20-11-14(12-22(18)21-13)10-19-17-8-4-6-15-5-2-3-7-16(15)17/h2-3,5,7,9,14,17,19-20H,4,6,8,10-12H2,1H3/t14-,17+/m0/s1
InChIKeyACWZHVJHFOWKIF-WMLDXEAASA-N
XLogP2.90
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

(4S)-1-methyl-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 136905221
(3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
CID 136718074
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
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
(4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 136905513
(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
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115706685
N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 167962937
(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-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 143330144
(4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
CID 136905471
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 136737906) is (1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1cc2n(n1)C[C@@H](CN[C@@H]1CCCc3ccccc31)CN2.
What is the InChIKey of (1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ACWZHVJHFOWKIF-WMLDXEAASA-N. The full InChI is InChI=1S/C18H24N4/c1-13-9-18-20-11-14(12-22(18)21-13)10-19-17-8-4-6-15-5-2-3-7-16(15)17/h2-3,5,7,9,14,17,19-20H,4,6,8,10-12H2,1H3/t14-,17+/m0/s1.
What are the key properties of (1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 296.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 136737906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).