4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine

C18H18N4O2 — CID 19142606

IUPAC4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine
SMILESCOc1ccc(CNc2ncnc(Oc3ccccc3)c2N)cc1
InChIInChI=1S/C18H18N4O2/c1-23-14-9-7-13(8-10-14)11-20-17-16(19)18(22-12-21-17)24-15-5-3-2-4-6-15/h2-10,12H,11,19H2,1H3,(H,20,21,22)
InChIKeyBDOQOJTYDQLXJJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.47
Rot. Bonds6

About 4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine

4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine (PubChem CID 19142606) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine
PubChem CID19142606
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine
SMILESCOc1ccc(CNc2ncnc(Oc3ccccc3)c2N)cc1
InChIInChI=1S/C18H18N4O2/c1-23-14-9-7-13(8-10-14)11-20-17-16(19)18(22-12-21-17)24-15-5-3-2-4-6-15/h2-10,12H,11,19H2,1H3,(H,20,21,22)
InChIKeyBDOQOJTYDQLXJJ-UHFFFAOYSA-N
XLogP3.47
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 19142658
4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 19134955
4-N-(2-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142555
N'-[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19152290
4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455310
4-N-(1,3-benzodioxol-5-ylmethyl)-6-phenoxypyrimidine-4,5-diamine
CID 22542630
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142538
6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19147057
6-(furan-2-yl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 46906950
6-(4-bromophenoxy)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542905
methyl 4-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]oxybenzoate
CID 22542700

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine (CID 19142606) is 4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine is COc1ccc(CNc2ncnc(Oc3ccccc3)c2N)cc1.
What is the InChIKey of 4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine?
The InChIKey is BDOQOJTYDQLXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-23-14-9-7-13(8-10-14)11-20-17-16(19)18(22-12-21-17)24-15-5-3-2-4-6-15/h2-10,12H,11,19H2,1H3,(H,20,21,22).
What are the key properties of 4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine?
4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine has a molecular weight of 322.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine is sourced from PubChem (CID 19142606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).