[4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol

C15H17N3O2 — CID 80990139

IUPAC[4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
SMILESCc1c(N)nc(C2CC2)nc1Oc1ccc(CO)cc1
InChIInChI=1S/C15H17N3O2/c1-9-13(16)17-14(11-4-5-11)18-15(9)20-12-6-2-10(8-19)3-7-12/h2-3,6-7,11,19H,4-5,8H2,1H3,(H2,16,17,18)
InChIKeyKMBJGJNWKUCAMV-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.53
Rot. Bonds4

About [4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol

[4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol (PubChem CID 80990139) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is [4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
PubChem CID80990139
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name[4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
SMILESCc1c(N)nc(C2CC2)nc1Oc1ccc(CO)cc1
InChIInChI=1S/C15H17N3O2/c1-9-13(16)17-14(11-4-5-11)18-15(9)20-12-6-2-10(8-19)3-7-12/h2-3,6-7,11,19H,4-5,8H2,1H3,(H2,16,17,18)
InChIKeyKMBJGJNWKUCAMV-UHFFFAOYSA-N
XLogP2.53
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol?
The IUPAC name of [4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol (CID 80990139) is [4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol?
The canonical SMILES for [4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol is Cc1c(N)nc(C2CC2)nc1Oc1ccc(CO)cc1.
What is the InChIKey of [4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol?
The InChIKey is KMBJGJNWKUCAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-13(16)17-14(11-4-5-11)18-15(9)20-12-6-2-10(8-19)3-7-12/h2-3,6-7,11,19H,4-5,8H2,1H3,(H2,16,17,18).
What are the key properties of [4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol?
[4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol has a molecular weight of 271.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 80990139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).