N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide

C15H23N5O — CID 115600363

IUPACN-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
SMILESCc1cc2ncc(CNC(C)C(=O)NC(C)(C)C)cn2n1
InChIInChI=1S/C15H23N5O/c1-10-6-13-17-8-12(9-20(13)19-10)7-16-11(2)14(21)18-15(3,4)5/h6,8-9,11,16H,7H2,1-5H3,(H,18,21)
InChIKeyYEYQJCNUVLWSIK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.43
Rot. Bonds4

About N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide

N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide (PubChem CID 115600363) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
PubChem CID115600363
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
SMILESCc1cc2ncc(CNC(C)C(=O)NC(C)(C)C)cn2n1
InChIInChI=1S/C15H23N5O/c1-10-6-13-17-8-12(9-20(13)19-10)7-16-11(2)14(21)18-15(3,4)5/h6,8-9,11,16H,7H2,1-5H3,(H,18,21)
InChIKeyYEYQJCNUVLWSIK-UHFFFAOYSA-N
XLogP1.43
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 55234828
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
(2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol
CID 103924365
2,3-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-2-ol
CID 103993421
1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine
CID 65047758
(1S)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951012
2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol
CID 66181252
2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetamide
CID 62404238
2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620689

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide (CID 115600363) is N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide is Cc1cc2ncc(CNC(C)C(=O)NC(C)(C)C)cn2n1.
What is the InChIKey of N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide?
The InChIKey is YEYQJCNUVLWSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10-6-13-17-8-12(9-20(13)19-10)7-16-11(2)14(21)18-15(3,4)5/h6,8-9,11,16H,7H2,1-5H3,(H,18,21).
What are the key properties of N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide?
N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide is sourced from PubChem (CID 115600363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).