2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol

C12H17N5O — CID 133403121

IUPAC2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol
SMILESCc1cnc(NCC(C)(O)c2cnn(C)c2)nc1
InChIInChI=1S/C12H17N5O/c1-9-4-13-11(14-5-9)15-8-12(2,18)10-6-16-17(3)7-10/h4-7,18H,8H2,1-3H3,(H,13,14,15)
InChIKeyCBCXNHRTRNBUOZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.84
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol

2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol (PubChem CID 133403121) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol
PubChem CID133403121
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol
SMILESCc1cnc(NCC(C)(O)c2cnn(C)c2)nc1
InChIInChI=1S/C12H17N5O/c1-9-4-13-11(14-5-9)15-8-12(2,18)10-6-16-17(3)7-10/h4-7,18H,8H2,1-3H3,(H,13,14,15)
InChIKeyCBCXNHRTRNBUOZ-UHFFFAOYSA-N
XLogP0.84
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
1-(2-methoxyethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038024
(2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 95396406
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
1-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 133344832
1-(3,5-dimethylphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458903
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
1-[(4-ethylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457689
1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111467303
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-prop-2-ynylurea
CID 111457956
1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 71907392

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol (CID 133403121) is 2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol is Cc1cnc(NCC(C)(O)c2cnn(C)c2)nc1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol?
The InChIKey is CBCXNHRTRNBUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-4-13-11(14-5-9)15-8-12(2,18)10-6-16-17(3)7-10/h4-7,18H,8H2,1-3H3,(H,13,14,15).
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol?
2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol has a molecular weight of 247.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 133403121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).