N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine

C16H15N5 — CID 63984866

IUPACN-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine
SMILESCCNc1cc(-c2ccccc2)nc(-c2ccncn2)n1
InChIInChI=1S/C16H15N5/c1-2-18-15-10-14(12-6-4-3-5-7-12)20-16(21-15)13-8-9-17-11-19-13/h3-11H,2H2,1H3,(H,18,20,21)
InChIKeyPOQZIRLDZDVXTJ-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.03
Rot. Bonds4

About N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine

N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine (PubChem CID 63984866) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine
PubChem CID63984866
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC NameN-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine
SMILESCCNc1cc(-c2ccccc2)nc(-c2ccncn2)n1
InChIInChI=1S/C16H15N5/c1-2-18-15-10-14(12-6-4-3-5-7-12)20-16(21-15)13-8-9-17-11-19-13/h3-11H,2H2,1H3,(H,18,20,21)
InChIKeyPOQZIRLDZDVXTJ-UHFFFAOYSA-N
XLogP3.03
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine
CID 106715921
N-ethyl-2-phenyl-6-pyrazin-2-ylpyrimidin-4-amine
CID 115915110
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-phenylpyrimidin-4-amine
CID 107125311
4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine
CID 55045579
N-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine
CID 114554308
2-N,2-N,4-N-triethyl-6-phenylpyrimidine-2,4-diamine
CID 63485028
N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 66307314
(6-ethyl-2-pyrimidin-4-ylpyrimidin-4-yl)hydrazine
CID 63988501
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
N-ethyl-2-propan-2-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 80952838
3-[(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)amino]propan-1-ol
CID 5069912
ethane;N-ethylpyrimidin-4-amine
CID 167491074

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine (CID 63984866) is N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine is CCNc1cc(-c2ccccc2)nc(-c2ccncn2)n1.
What is the InChIKey of N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine?
The InChIKey is POQZIRLDZDVXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-2-18-15-10-14(12-6-4-3-5-7-12)20-16(21-15)13-8-9-17-11-19-13/h3-11H,2H2,1H3,(H,18,20,21).
What are the key properties of N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine?
N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine has a molecular weight of 277.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 63984866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).