(1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

C17H20N4 — CID 81354135

IUPAC(1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
SMILESCc1cc2ncc(CN[C@@H](C)c3ccccc3C)cn2n1
InChIInChI=1S/C17H20N4/c1-12-6-4-5-7-16(12)14(3)18-9-15-10-19-17-8-13(2)20-21(17)11-15/h4-8,10-11,14,18H,9H2,1-3H3/t14-/m0/s1
InChIKeyYGMBXIOCXMHJCQ-AWEZNQCLSA-N
MW280.38 g/mol
LogP3.20
Rot. Bonds4

About (1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

(1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine (PubChem CID 81354135) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is (1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
PubChem CID81354135
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name(1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
SMILESCc1cc2ncc(CN[C@@H](C)c3ccccc3C)cn2n1
InChIInChI=1S/C17H20N4/c1-12-6-4-5-7-16(12)14(3)18-9-15-10-19-17-8-13(2)20-21(17)11-15/h4-8,10-11,14,18H,9H2,1-3H3/t14-/m0/s1
InChIKeyYGMBXIOCXMHJCQ-AWEZNQCLSA-N
XLogP3.20
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine
CID 62405315
(1S)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951012
1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine
CID 65047758
2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol
CID 115644595
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091780
4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol
CID 103700937
N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 115600363
(2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol
CID 103924365
2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62403520
[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]phenyl]methanol
CID 63783870
6-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
CID 12773561
3-ethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-3-amine
CID 65039866

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine (CID 81354135) is (1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine is Cc1cc2ncc(CN[C@@H](C)c3ccccc3C)cn2n1.
What is the InChIKey of (1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The InChIKey is YGMBXIOCXMHJCQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4/c1-12-6-4-5-7-16(12)14(3)18-9-15-10-19-17-8-13(2)20-21(17)11-15/h4-8,10-11,14,18H,9H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
(1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine has a molecular weight of 280.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine is sourced from PubChem (CID 81354135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).