(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine

C18H27N5 — CID 95201478

IUPAC(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
SMILESCc1cc(C)n(C[C@H](C)NCc2nc(C)c3c(n2)CCCC3)n1
InChIInChI=1S/C18H27N5/c1-12-9-14(3)23(22-12)11-13(2)19-10-18-20-15(4)16-7-5-6-8-17(16)21-18/h9,13,19H,5-8,10-11H2,1-4H3/t13-/m0/s1
InChIKeyNPBAJRZMUWMEFR-ZDUSSCGKSA-N
MW313.45 g/mol
LogP2.66
Rot. Bonds5

About (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine

(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine (PubChem CID 95201478) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
PubChem CID95201478
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
SMILESCc1cc(C)n(C[C@H](C)NCc2nc(C)c3c(n2)CCCC3)n1
InChIInChI=1S/C18H27N5/c1-12-9-14(3)23(22-12)11-13(2)19-10-18-20-15(4)16-7-5-6-8-17(16)21-18/h9,13,19H,5-8,10-11H2,1-4H3/t13-/m0/s1
InChIKeyNPBAJRZMUWMEFR-ZDUSSCGKSA-N
XLogP2.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
CID 56706674
1-(3,5-dimethylpyrazol-1-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)propan-2-amine
CID 56718473
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine
CID 50981206
(2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95197767
(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95229565
4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide
CID 131930276
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 95205420
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 95191455
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 97227229
1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 131916675
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-2-amine
CID 95213205

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine?
The IUPAC name of (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine (CID 95201478) is (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine is Cc1cc(C)n(C[C@H](C)NCc2nc(C)c3c(n2)CCCC3)n1.
What is the InChIKey of (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine?
The InChIKey is NPBAJRZMUWMEFR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N5/c1-12-9-14(3)23(22-12)11-13(2)19-10-18-20-15(4)16-7-5-6-8-17(16)21-18/h9,13,19H,5-8,10-11H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine?
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine has a molecular weight of 313.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 95201478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).