4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

C16H22N4O — CID 80783013

IUPAC4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2ccccc2COC)c1C(C)C
InChIInChI=1S/C16H22N4O/c1-11(2)14-15(17-3)18-10-19-16(14)20-13-8-6-5-7-12(13)9-21-4/h5-8,10-11H,9H2,1-4H3,(H2,17,18,19,20)
InChIKeyNUGYYCASKHBJEK-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.53
Rot. Bonds6

About 4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80783013) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80783013
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2ccccc2COC)c1C(C)C
InChIInChI=1S/C16H22N4O/c1-11(2)14-15(17-3)18-10-19-16(14)20-13-8-6-5-7-12(13)9-21-4/h5-8,10-11H,9H2,1-4H3,(H2,17,18,19,20)
InChIKeyNUGYYCASKHBJEK-UHFFFAOYSA-N
XLogP3.53
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[4-(2-Cyanoethoxymethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
CID 5275828
4-(ethoxymethyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]aniline
CID 71917593
1-[2-(Ethoxymethyl)phenyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 72152613
N-(2-Benzyloxy-5-trifluoromethylpyrimidine-4-yl)aniline
CID 122206380
N-(2-Benzyloxy-5-trifluoromethylpyrimidine-4-yl)-N-methylaniline
CID 122206381
N-(2-Benzyloxy-5-trifluoromethylpyrimidine-4-yl)-4-methylaniline
CID 122206382
N-(4-fluorophenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine
CID 141709944
(cis-3-{6-[4-(Benzyloxy)piperidin-1-yl]pyrimidin-4-yl}cyclobutyl)amine
CID 91767649
N~4~-[2-(benzyloxy)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine
CID 72858579
6-[2-(Benzyloxy)ethyl]-N,N-dimethylpyrimidin-4-amine
CID 72924710
1-[1-(2,6-Dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[4-fluoro-2-(methoxymethyl)phenyl]urea
CID 126792845
N'-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-N,N-dimethylmethanimidamide
CID 57818466

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80783013) is 4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is CNc1ncnc(Nc2ccccc2COC)c1C(C)C.
What is the InChIKey of 4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is NUGYYCASKHBJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)14-15(17-3)18-10-19-16(14)20-13-8-6-5-7-12(13)9-21-4/h5-8,10-11H,9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80783013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).