4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine

C17H22N4O — CID 112857277

IUPAC4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(NCC2CCCO2)ncn1
InChIInChI=1S/C17H22N4O/c1-2-21(14-7-4-3-5-8-14)17-11-16(19-13-20-17)18-12-15-9-6-10-22-15/h3-5,7-8,11,13,15H,2,6,9-10,12H2,1H3,(H,18,19,20)
InChIKeyZDBCOJMPASWTHS-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.23
Rot. Bonds6

About 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine

4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112857277) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112857277
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(NCC2CCCO2)ncn1
InChIInChI=1S/C17H22N4O/c1-2-21(14-7-4-3-5-8-14)17-11-16(19-13-20-17)18-12-15-9-6-10-22-15/h3-5,7-8,11,13,15H,2,6,9-10,12H2,1H3,(H,18,19,20)
InChIKeyZDBCOJMPASWTHS-UHFFFAOYSA-N
XLogP3.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine
CID 112880661
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
3-N-ethyl-5-N-(oxolan-2-ylmethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112944434
N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine
CID 1408931
6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112857200
4-N-(oxolan-2-ylmethyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112857213
6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863776
4-N-(oxolan-2-ylmethyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112857246
N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109343842
4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859221
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
CID 112865483
4-N-(4-ethylphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857276

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine (CID 112857277) is 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine is CCN(c1ccccc1)c1cc(NCC2CCCO2)ncn1.
What is the InChIKey of 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is ZDBCOJMPASWTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-21(14-7-4-3-5-8-14)17-11-16(19-13-20-17)18-12-15-9-6-10-22-15/h3-5,7-8,11,13,15H,2,6,9-10,12H2,1H3,(H,18,19,20).
What are the key properties of 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine?
4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 298.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112857277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).