6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine

C13H17N5 — CID 115264271

IUPAC6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCN(C)c1cc(Nc2ccc(N)cc2)ncn1
InChIInChI=1S/C13H17N5/c1-3-18(2)13-8-12(15-9-16-13)17-11-6-4-10(14)5-7-11/h4-9H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyYQGGCHNWNMNXEX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.26
Rot. Bonds4

About 6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine

6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine (PubChem CID 115264271) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
PubChem CID115264271
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCN(C)c1cc(Nc2ccc(N)cc2)ncn1
InChIInChI=1S/C13H17N5/c1-3-18(2)13-8-12(15-9-16-13)17-11-6-4-10(14)5-7-11/h4-9H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyYQGGCHNWNMNXEX-UHFFFAOYSA-N
XLogP2.26
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(6-propylpyrimidin-4-yl)benzene-1,4-diamine
CID 61240712
4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669959
6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112865025
4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864217
1-[6-(4-aminoanilino)pyrimidin-4-yl]-3-(5-amino-2-chlorophenyl)-1-methylurea
CID 165164596
4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112859473
6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112864985
6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115263882
4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 80790052
4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861821
ethyl 4-[[6-(diethylamino)pyrimidin-4-yl]amino]benzoate
CID 112863541
6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863564

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine (CID 115264271) is 6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine is CCN(C)c1cc(Nc2ccc(N)cc2)ncn1.
What is the InChIKey of 6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is YQGGCHNWNMNXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-3-18(2)13-8-12(15-9-16-13)17-11-6-4-10(14)5-7-11/h4-9H,3,14H2,1-2H3,(H,15,16,17).
What are the key properties of 6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 115264271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).