[1-[(2-aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol

C9H13N3O2 — CID 122536304

IUPAC[1-[(2-aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol
SMILESNc1nccc(OCC2(CO)CC2)n1
InChIInChI=1S/C9H13N3O2/c10-8-11-4-1-7(12-8)14-6-9(5-13)2-3-9/h1,4,13H,2-3,5-6H2,(H2,10,11,12)
InChIKeyFFJBICRSHOOPBC-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.21
Rot. Bonds4

About [1-[(2-aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol

[1-[(2-aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol (PubChem CID 122536304) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is [1-[(2-aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2-aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol
PubChem CID122536304
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name[1-[(2-aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol
SMILESNc1nccc(OCC2(CO)CC2)n1
InChIInChI=1S/C9H13N3O2/c10-8-11-4-1-7(12-8)14-6-9(5-13)2-3-9/h1,4,13H,2-3,5-6H2,(H2,10,11,12)
InChIKeyFFJBICRSHOOPBC-UHFFFAOYSA-N
XLogP0.21
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol?
The IUPAC name of [1-[(2-aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol (CID 122536304) is [1-[(2-aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2-aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(2-aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol is Nc1nccc(OCC2(CO)CC2)n1.
What is the InChIKey of [1-[(2-aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol?
The InChIKey is FFJBICRSHOOPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-8-11-4-1-7(12-8)14-6-9(5-13)2-3-9/h1,4,13H,2-3,5-6H2,(H2,10,11,12).
What are the key properties of [1-[(2-aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol?
[1-[(2-aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol has a molecular weight of 195.22 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol is sourced from PubChem (CID 122536304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).