6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine

C20H22N4O — CID 112854646

IUPAC6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(Nc2ccc(OCc3ccccc3)cc2)ncn1
InChIInChI=1S/C20H22N4O/c1-15(2)23-19-12-20(22-14-21-19)24-17-8-10-18(11-9-17)25-13-16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyWDEBTAYEDBUFPC-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.62
Rot. Bonds7

About 6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine

6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 112854646) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID112854646
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(Nc2ccc(OCc3ccccc3)cc2)ncn1
InChIInChI=1S/C20H22N4O/c1-15(2)23-19-12-20(22-14-21-19)24-17-8-10-18(11-9-17)25-13-16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyWDEBTAYEDBUFPC-UHFFFAOYSA-N
XLogP4.62
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butan-2-yl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112855599
4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112863831
6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 130156888
4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112854627
6-N-(4-ethoxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866323
4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112909003
6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112869597
6-fluoro-N-(4-phenylmethoxyphenyl)pyridin-2-amine
CID 130565967
N-(2-methylpropyl)-4-phenylmethoxyaniline
CID 57172587
5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine
CID 154136331
2-(4-phenylmethoxyanilino)propanoic acid
CID 22078170
3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide
CID 113021236

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 112854646) is 6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine is CC(C)Nc1cc(Nc2ccc(OCc3ccccc3)cc2)ncn1.
What is the InChIKey of 6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is WDEBTAYEDBUFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15(2)23-19-12-20(22-14-21-19)24-17-8-10-18(11-9-17)25-13-16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 334.42 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112854646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).