2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine

C9H13N3O — CID 116705149

IUPAC2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine
SMILESCOC(c1ncc(N)cn1)C1CC1
InChIInChI=1S/C9H13N3O/c1-13-8(6-2-3-6)9-11-4-7(10)5-12-9/h4-6,8H,2-3,10H2,1H3
InChIKeyYIAUIGNGFJRURQ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.16
Rot. Bonds3

About 2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine

2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine (PubChem CID 116705149) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine
PubChem CID116705149
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine
SMILESCOC(c1ncc(N)cn1)C1CC1
InChIInChI=1S/C9H13N3O/c1-13-8(6-2-3-6)9-11-4-7(10)5-12-9/h4-6,8H,2-3,10H2,1H3
InChIKeyYIAUIGNGFJRURQ-UHFFFAOYSA-N
XLogP1.16
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine (CID 116705149) is 2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine is COC(c1ncc(N)cn1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine?
The InChIKey is YIAUIGNGFJRURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-13-8(6-2-3-6)9-11-4-7(10)5-12-9/h4-6,8H,2-3,10H2,1H3.
What are the key properties of 2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine?
2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine has a molecular weight of 179.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine is sourced from PubChem (CID 116705149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).