6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine

C15H20N4 — CID 80817435

IUPAC6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)c2ccccc2C)nc(C)n1
InChIInChI=1S/C15H20N4/c1-5-16-14-10-15(18-12(3)17-14)19(4)13-9-7-6-8-11(13)2/h6-10H,5H2,1-4H3,(H,16,17,18)
InChIKeyIOBLOUTVRLWIAV-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.29
Rot. Bonds4

About 6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 80817435) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
PubChem CID80817435
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)c2ccccc2C)nc(C)n1
InChIInChI=1S/C15H20N4/c1-5-16-14-10-15(18-12(3)17-14)19(4)13-9-7-6-8-11(13)2/h6-10H,5H2,1-4H3,(H,16,17,18)
InChIKeyIOBLOUTVRLWIAV-UHFFFAOYSA-N
XLogP3.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-4-N-(2-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80816866
2-ethyl-6-hydrazinyl-N-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 80937218
6-N-ethyl-2-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80790221
4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80818514
2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658321
4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 82943791
6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine
CID 80767341
6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine
CID 80794370
6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956228
4-N,6-N-diethyl-2,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 80757142
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile
CID 80852105
2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80808678

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine (CID 80817435) is 6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine is CCNc1cc(N(C)c2ccccc2C)nc(C)n1.
What is the InChIKey of 6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is IOBLOUTVRLWIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-5-16-14-10-15(18-12(3)17-14)19(4)13-9-7-6-8-11(13)2/h6-10H,5H2,1-4H3,(H,16,17,18).
What are the key properties of 6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80817435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).