2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol

C13H20N4O — CID 115644595

IUPAC2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol
SMILESCc1cc2ncc(CNC(C)C(C)CO)cn2n1
InChIInChI=1S/C13H20N4O/c1-9(8-18)11(3)14-5-12-6-15-13-4-10(2)16-17(13)7-12/h4,6-7,9,11,14,18H,5,8H2,1-3H3
InChIKeyFDVUNVHKGWCNRI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.14
Rot. Bonds5

About 2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol

2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol (PubChem CID 115644595) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol
PubChem CID115644595
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol
SMILESCc1cc2ncc(CNC(C)C(C)CO)cn2n1
InChIInChI=1S/C13H20N4O/c1-9(8-18)11(3)14-5-12-6-15-13-4-10(2)16-17(13)7-12/h4,6-7,9,11,14,18H,5,8H2,1-3H3
InChIKeyFDVUNVHKGWCNRI-UHFFFAOYSA-N
XLogP1.14
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol
CID 103924365
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
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine
CID 62405315
(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-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091780
(1S)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951012
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 78926107
2,3-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-2-ol
CID 103993421
6-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
CID 12773561
2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol
CID 66181252

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol?
The IUPAC name of 2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol (CID 115644595) is 2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol.
What is the SMILES notation for 2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol?
The canonical SMILES for 2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol is Cc1cc2ncc(CNC(C)C(C)CO)cn2n1.
What is the InChIKey of 2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol?
The InChIKey is FDVUNVHKGWCNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(8-18)11(3)14-5-12-6-15-13-4-10(2)16-17(13)7-12/h4,6-7,9,11,14,18H,5,8H2,1-3H3.
What are the key properties of 2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol?
2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol has a molecular weight of 248.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol is sourced from PubChem (CID 115644595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).