[1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol

C13H15N3O — CID 116896017

IUPAC[1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol
SMILESCc1cc(-c2cc[nH]c2)nc(C2(CO)CC2)n1
InChIInChI=1S/C13H15N3O/c1-9-6-11(10-2-5-14-7-10)16-12(15-9)13(8-17)3-4-13/h2,5-7,14,17H,3-4,8H2,1H3
InChIKeyNTJABHRORIOODF-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.80
Rot. Bonds3

About [1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol

[1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol (PubChem CID 116896017) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol
PubChem CID116896017
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol
SMILESCc1cc(-c2cc[nH]c2)nc(C2(CO)CC2)n1
InChIInChI=1S/C13H15N3O/c1-9-6-11(10-2-5-14-7-10)16-12(15-9)13(8-17)3-4-13/h2,5-7,14,17H,3-4,8H2,1H3
InChIKeyNTJABHRORIOODF-UHFFFAOYSA-N
XLogP1.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol?
The IUPAC name of [1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol (CID 116896017) is [1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol is Cc1cc(-c2cc[nH]c2)nc(C2(CO)CC2)n1.
What is the InChIKey of [1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol?
The InChIKey is NTJABHRORIOODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-6-11(10-2-5-14-7-10)16-12(15-9)13(8-17)3-4-13/h2,5-7,14,17H,3-4,8H2,1H3.
What are the key properties of [1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol?
[1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol has a molecular weight of 229.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol is sourced from PubChem (CID 116896017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).