[2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol

C12H17N5O — CID 138050417

IUPAC[2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol
SMILESCc1cc(CC(C)Nc2nccc(CO)n2)n[nH]1
InChIInChI=1S/C12H17N5O/c1-8(5-11-6-9(2)16-17-11)14-12-13-4-3-10(7-18)15-12/h3-4,6,8,18H,5,7H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyDMAFTEQKQMNUJC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.04
Rot. Bonds5

About [2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol

[2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol (PubChem CID 138050417) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is [2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol
PubChem CID138050417
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name[2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol
SMILESCc1cc(CC(C)Nc2nccc(CO)n2)n[nH]1
InChIInChI=1S/C12H17N5O/c1-8(5-11-6-9(2)16-17-11)14-12-13-4-3-10(7-18)15-12/h3-4,6,8,18H,5,7H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyDMAFTEQKQMNUJC-UHFFFAOYSA-N
XLogP1.04
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol?
The IUPAC name of [2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol (CID 138050417) is [2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol is Cc1cc(CC(C)Nc2nccc(CO)n2)n[nH]1.
What is the InChIKey of [2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol?
The InChIKey is DMAFTEQKQMNUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(5-11-6-9(2)16-17-11)14-12-13-4-3-10(7-18)15-12/h3-4,6,8,18H,5,7H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of [2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol?
[2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol has a molecular weight of 247.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol is sourced from PubChem (CID 138050417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).