N-[(6-methoxypyrimidin-4-yl)methyl]cyclopropanamine

C9H13N3O — CID 138636003

IUPACN-[(6-methoxypyrimidin-4-yl)methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)ncn1
InChIInChI=1S/C9H13N3O/c1-13-9-4-8(11-6-12-9)5-10-7-2-3-7/h4,6-7,10H,2-3,5H2,1H3
InChIKeyKERMFFAGVWRGSI-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.74
Rot. Bonds4

About N-[(6-methoxypyrimidin-4-yl)methyl]cyclopropanamine

N-[(6-methoxypyrimidin-4-yl)methyl]cyclopropanamine (PubChem CID 138636003) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[(6-methoxypyrimidin-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6-methoxypyrimidin-4-yl)methyl]cyclopropanamine
PubChem CID138636003
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-[(6-methoxypyrimidin-4-yl)methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)ncn1
InChIInChI=1S/C9H13N3O/c1-13-9-4-8(11-6-12-9)5-10-7-2-3-7/h4,6-7,10H,2-3,5H2,1H3
InChIKeyKERMFFAGVWRGSI-UHFFFAOYSA-N
XLogP0.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxypyrimidin-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(6-methoxypyrimidin-4-yl)methyl]cyclopropanamine (CID 138636003) is N-[(6-methoxypyrimidin-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(6-methoxypyrimidin-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(6-methoxypyrimidin-4-yl)methyl]cyclopropanamine is COc1cc(CNC2CC2)ncn1.
What is the InChIKey of N-[(6-methoxypyrimidin-4-yl)methyl]cyclopropanamine?
The InChIKey is KERMFFAGVWRGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-13-9-4-8(11-6-12-9)5-10-7-2-3-7/h4,6-7,10H,2-3,5H2,1H3.
What are the key properties of N-[(6-methoxypyrimidin-4-yl)methyl]cyclopropanamine?
N-[(6-methoxypyrimidin-4-yl)methyl]cyclopropanamine has a molecular weight of 179.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxypyrimidin-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 138636003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).