4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine

C14H18N4 — CID 55045579

IUPAC4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine
SMILESCCNc1cc(-c2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C14H18N4/c1-4-15-13-10-12(11-8-6-5-7-9-11)16-14(17-13)18(2)3/h5-10H,4H2,1-3H3,(H,15,16,17)
InChIKeyKJDZZRGPNPZUQL-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.64
Rot. Bonds4

About 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine

4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 55045579) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine
PubChem CID55045579
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine
SMILESCCNc1cc(-c2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C14H18N4/c1-4-15-13-10-12(11-8-6-5-7-9-11)16-14(17-13)18(2)3/h5-10H,4H2,1-3H3,(H,15,16,17)
InChIKeyKJDZZRGPNPZUQL-UHFFFAOYSA-N
XLogP2.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-N,4-N-triethyl-6-phenylpyrimidine-2,4-diamine
CID 63485028
2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932437
2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933584
N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 63984866
2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933555
2-N,2-N-diethyl-4-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 62192827
2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933755
N,N-diethyl-4-hydrazinyl-6-phenylpyrimidin-2-amine
CID 62251410
2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112937366
N-ethyl-6-phenyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65129120
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
N-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine
CID 114554308

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine (CID 55045579) is 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine is CCNc1cc(-c2ccccc2)nc(N(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is KJDZZRGPNPZUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-4-15-13-10-12(11-8-6-5-7-9-11)16-14(17-13)18(2)3/h5-10H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine?
4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 55045579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).