N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine

C11H17N3O2 — CID 62396326

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine
SMILESCOc1ncnc(OC)c1CNC1CC1C
InChIInChI=1S/C11H17N3O2/c1-7-4-9(7)12-5-8-10(15-2)13-6-14-11(8)16-3/h6-7,9,12H,4-5H2,1-3H3
InChIKeyDHNFMUABXWIFKY-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.99
Rot. Bonds5

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 62396326) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine
PubChem CID62396326
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine
SMILESCOc1ncnc(OC)c1CNC1CC1C
InChIInChI=1S/C11H17N3O2/c1-7-4-9(7)12-5-8-10(15-2)13-6-14-11(8)16-3/h6-7,9,12H,4-5H2,1-3H3
InChIKeyDHNFMUABXWIFKY-UHFFFAOYSA-N
XLogP0.99
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine (CID 62396326) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine is COc1ncnc(OC)c1CNC1CC1C.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is DHNFMUABXWIFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-4-9(7)12-5-8-10(15-2)13-6-14-11(8)16-3/h6-7,9,12H,4-5H2,1-3H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 223.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 62396326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).