5-ethyl-6-methyl-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine

C16H22N4O — CID 72858579

IUPAC5-ethyl-6-methyl-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine
SMILESCCc1c(C)nc(N)nc1NCCOCc1ccccc1
InChIInChI=1S/C16H22N4O/c1-3-14-12(2)19-16(17)20-15(14)18-9-10-21-11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H3,17,18,19,20)
InChIKeyWQRIWIURSKDCKR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.56
Rot. Bonds7

About 5-ethyl-6-methyl-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine

5-ethyl-6-methyl-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine (PubChem CID 72858579) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-ethyl-6-methyl-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-6-methyl-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine
PubChem CID72858579
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-ethyl-6-methyl-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine
SMILESCCc1c(C)nc(N)nc1NCCOCc1ccccc1
InChIInChI=1S/C16H22N4O/c1-3-14-12(2)19-16(17)20-15(14)18-9-10-21-11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H3,17,18,19,20)
InChIKeyWQRIWIURSKDCKR-UHFFFAOYSA-N
XLogP2.56
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-{2,4-Diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)-3-propan-2-ylurea
CID 11154001
4-{[(4-{2,4-Diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)amino]methyl}benzonitrile
CID 11154823
6-[(Benzyloxy)methyl]-5-{4-[(2,2-dimethylpropyl)amino]phenyl}pyrimidine-2,4-diamine
CID 11176805
N-benzyl-N'-(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)urea
CID 11248021
5-[4-(Benzylamino)phenyl]-6-[(benzyloxy)methyl]pyrimidine-2,4-diamine
CID 11281346
3-(4-{2,4-Diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)-1-(2-phenylethyl)urea
CID 11340329
3-(4-{2,4-Diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)-1-(1-phenylethyl)urea
CID 11351838
Abbott 14c
CID 11441554
6-[(Benzyloxy)methyl]-5-[4-({[4-(trifluoromethyl)phenyl]methyl}amino)phenyl]pyrimidine-2,4-diamine
CID 11583811
N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine
CID 1476795
N-(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)acetamide
CID 11846627
N-benzyl-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 697249

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-6-methyl-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine (CID 72858579) is 5-ethyl-6-methyl-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-6-methyl-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-6-methyl-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine is CCc1c(C)nc(N)nc1NCCOCc1ccccc1.
What is the InChIKey of 5-ethyl-6-methyl-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is WQRIWIURSKDCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-14-12(2)19-16(17)20-15(14)18-9-10-21-11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 5-ethyl-6-methyl-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine?
5-ethyl-6-methyl-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 72858579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).