(2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol

C12H18N4O — CID 103924365

IUPAC(2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cnc2cc(C)nn2c1
InChIInChI=1S/C12H18N4O/c1-3-11(8-17)13-5-10-6-14-12-4-9(2)15-16(12)7-10/h4,6-7,11,13,17H,3,5,8H2,1-2H3/t11-/m1/s1
InChIKeyJVFHXYKETDEANA-LLVKDONJSA-N
MW234.30 g/mol
LogP0.90
Rot. Bonds5

About (2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol

(2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol (PubChem CID 103924365) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol
PubChem CID103924365
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cnc2cc(C)nn2c1
InChIInChI=1S/C12H18N4O/c1-3-11(8-17)13-5-10-6-14-12-4-9(2)15-16(12)7-10/h4,6-7,11,13,17H,3,5,8H2,1-2H3/t11-/m1/s1
InChIKeyJVFHXYKETDEANA-LLVKDONJSA-N
XLogP0.90
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol with MolForge

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Related Compounds

2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol
CID 115644595
4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol
CID 103700937
1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine
CID 65047758
6-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
CID 12773561
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine
CID 62405315
3-ethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-3-amine
CID 65039866
(1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 81354135
N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 115600363
N-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 62405672
(2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol
CID 104980540
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091780
2,3-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-2-ol
CID 103993421

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol (CID 103924365) is (2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol is CC[C@H](CO)NCc1cnc2cc(C)nn2c1.
What is the InChIKey of (2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol?
The InChIKey is JVFHXYKETDEANA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-11(8-17)13-5-10-6-14-12-4-9(2)15-16(12)7-10/h4,6-7,11,13,17H,3,5,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol?
(2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol has a molecular weight of 234.30 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol is sourced from PubChem (CID 103924365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).