N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine

C13H16N4 — CID 78990312

IUPACN,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine
SMILESCCNc1cc(-c2cccnc2)nc(CC)n1
InChIInChI=1S/C13H16N4/c1-3-12-16-11(8-13(17-12)15-4-2)10-6-5-7-14-9-10/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeySBLHUHPFERTNCZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.53
Rot. Bonds4

About N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine

N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine (PubChem CID 78990312) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine
PubChem CID78990312
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine
SMILESCCNc1cc(-c2cccnc2)nc(CC)n1
InChIInChI=1S/C13H16N4/c1-3-12-16-11(8-13(17-12)15-4-2)10-6-5-7-14-9-10/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeySBLHUHPFERTNCZ-UHFFFAOYSA-N
XLogP2.53
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine
CID 80936579
N,2-diethyl-6-(3-methyl-4-pyridinyl)pyrimidin-4-amine
CID 80935529
N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine
CID 80938836
N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80936235
N,2-diethyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80935861
6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82169826
2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine
CID 116546086
2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine
CID 94075304
6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80933212
N-ethyl-2-phenyl-6-pyrazin-2-ylpyrimidin-4-amine
CID 115915110
3-[(2,6-dipyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 3479964
N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80945378

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine (CID 78990312) is N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine is CCNc1cc(-c2cccnc2)nc(CC)n1.
What is the InChIKey of N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is SBLHUHPFERTNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-12-16-11(8-13(17-12)15-4-2)10-6-5-7-14-9-10/h5-9H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine?
N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 228.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 78990312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).