N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine

C12H19N3O — CID 102952243

IUPACN-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(OC)ncn1)C1CC1
InChIInChI=1S/C12H19N3O/c1-3-6-13-12(9-4-5-9)10-7-11(16-2)15-8-14-10/h7-9,12-13H,3-6H2,1-2H3
InChIKeyAWZMWUXDFMQETI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.94
Rot. Bonds6

About N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine

N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 102952243) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
PubChem CID102952243
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(OC)ncn1)C1CC1
InChIInChI=1S/C12H19N3O/c1-3-6-13-12(9-4-5-9)10-7-11(16-2)15-8-14-10/h7-9,12-13H,3-6H2,1-2H3
InChIKeyAWZMWUXDFMQETI-UHFFFAOYSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952192
N-[(2-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952354
N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951887
[cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
CID 102953192
N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952263
N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 106654794
1-(6-methoxypyrimidin-4-yl)-3-methyl-N-propylhexan-1-amine
CID 102952073
N-[(6-methoxypyrimidin-4-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 102952423
N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 102952316
N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 107560806
2-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102950996
[2-cyclopropyl-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953246

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine (CID 102952243) is N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine is CCCNC(c1cc(OC)ncn1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is AWZMWUXDFMQETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-6-13-12(9-4-5-9)10-7-11(16-2)15-8-14-10/h7-9,12-13H,3-6H2,1-2H3.
What are the key properties of N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 102952243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).