N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine

C15H19N3O2 — CID 66327152

IUPACN-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine
SMILESCOc1ccccc1CNc1cc(OC(C)C)ncn1
InChIInChI=1S/C15H19N3O2/c1-11(2)20-15-8-14(17-10-18-15)16-9-12-6-4-5-7-13(12)19-3/h4-8,10-11H,9H2,1-3H3,(H,16,17,18)
InChIKeyXSWCMMDDOFINIV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.88
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine

N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 66327152) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine
PubChem CID66327152
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine
SMILESCOc1ccccc1CNc1cc(OC(C)C)ncn1
InChIInChI=1S/C15H19N3O2/c1-11(2)20-15-8-14(17-10-18-15)16-9-12-6-4-5-7-13(12)19-3/h4-8,10-11H,9H2,1-3H3,(H,16,17,18)
InChIKeyXSWCMMDDOFINIV-UHFFFAOYSA-N
XLogP2.88
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855280
6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112860098
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66325709
6-N-[(2-methoxyphenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112860115
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860060
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055
4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860141
6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 171997091
4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol
CID 114332586
4-N-(2,4-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860142
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319
6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112858971

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine (CID 66327152) is N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine is COc1ccccc1CNc1cc(OC(C)C)ncn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is XSWCMMDDOFINIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(2)20-15-8-14(17-10-18-15)16-9-12-6-4-5-7-13(12)19-3/h4-8,10-11H,9H2,1-3H3,(H,16,17,18).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine?
N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 66327152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).