[2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanol

C11H12ClN5O — CID 58169454

IUPAC[2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanol
SMILESOCc1cnc(Cl)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C11H12ClN5O/c12-11-13-4-7(5-18)10(15-11)14-9-3-8(16-17-9)6-1-2-6/h3-4,6,18H,1-2,5H2,(H2,13,14,15,16,17)
InChIKeyQKHNLASRESQHIX-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.97
Rot. Bonds4

About [2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanol

[2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanol (PubChem CID 58169454) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is [2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanol
PubChem CID58169454
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name[2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanol
SMILESOCc1cnc(Cl)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C11H12ClN5O/c12-11-13-4-7(5-18)10(15-11)14-9-3-8(16-17-9)6-1-2-6/h3-4,6,18H,1-2,5H2,(H2,13,14,15,16,17)
InChIKeyQKHNLASRESQHIX-UHFFFAOYSA-N
XLogP1.97
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanol?
The IUPAC name of [2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanol (CID 58169454) is [2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanol?
The canonical SMILES for [2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanol is OCc1cnc(Cl)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of [2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanol?
The InChIKey is QKHNLASRESQHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c12-11-13-4-7(5-18)10(15-11)14-9-3-8(16-17-9)6-1-2-6/h3-4,6,18H,1-2,5H2,(H2,13,14,15,16,17).
What are the key properties of [2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanol?
[2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanol has a molecular weight of 265.70 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanol is sourced from PubChem (CID 58169454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).