1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine

C15H17N3O — CID 114521712

IUPAC1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine
SMILESCNC(c1cccc(OC2CC2)c1)c1ccncn1
InChIInChI=1S/C15H17N3O/c1-16-15(14-7-8-17-10-18-14)11-3-2-4-13(9-11)19-12-5-6-12/h2-4,7-10,12,15-16H,5-6H2,1H3
InChIKeyCDKKZNFPRMKMEN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.33
Rot. Bonds5

About 1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine

1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine (PubChem CID 114521712) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine
PubChem CID114521712
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine
SMILESCNC(c1cccc(OC2CC2)c1)c1ccncn1
InChIInChI=1S/C15H17N3O/c1-16-15(14-7-8-17-10-18-14)11-3-2-4-13(9-11)19-12-5-6-12/h2-4,7-10,12,15-16H,5-6H2,1H3
InChIKeyCDKKZNFPRMKMEN-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114522070
1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105066138
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105188536
N-methyl-1-pyridin-3-yl-1-pyrimidin-4-ylmethanamine
CID 63988330
N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 114521537
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105188667
N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 114519422
1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 114521568
1-(3-cyclopropyloxyphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 114521648
1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
CID 106858802
[(3-cyclopropyloxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine
CID 105219282
1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
CID 105051704

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine (CID 114521712) is 1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine is CNC(c1cccc(OC2CC2)c1)c1ccncn1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine?
The InChIKey is CDKKZNFPRMKMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-16-15(14-7-8-17-10-18-14)11-3-2-4-13(9-11)19-12-5-6-12/h2-4,7-10,12,15-16H,5-6H2,1H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine?
1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine has a molecular weight of 255.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine is sourced from PubChem (CID 114521712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).