6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine

C20H27N3O — CID 133462480

IUPAC6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine
SMILESCCc1cc(NC(CC2CCOCC2)c2ccccc2)nc(C)n1
InChIInChI=1S/C20H27N3O/c1-3-18-14-20(22-15(2)21-18)23-19(17-7-5-4-6-8-17)13-16-9-11-24-12-10-16/h4-8,14,16,19H,3,9-13H2,1-2H3,(H,21,22,23)
InChIKeyKWTJDSSLBSATCQ-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.32
Rot. Bonds6

About 6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine

6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine (PubChem CID 133462480) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine
PubChem CID133462480
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine
SMILESCCc1cc(NC(CC2CCOCC2)c2ccccc2)nc(C)n1
InChIInChI=1S/C20H27N3O/c1-3-18-14-20(22-15(2)21-18)23-19(17-7-5-4-6-8-17)13-16-9-11-24-12-10-16/h4-8,14,16,19H,3,9-13H2,1-2H3,(H,21,22,23)
InChIKeyKWTJDSSLBSATCQ-UHFFFAOYSA-N
XLogP4.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 133460882
N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133472588
2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80822605
6-hydrazinyl-2-methyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80908283
N-[2-(oxolan-3-yl)-1-phenylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133413468
(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine
CID 97334715
2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80798243
4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79110713
N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine
CID 133413518
N-[1-(3,4-dimethylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 115846940
N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 63091681
3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
CID 126802466

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine (CID 133462480) is 6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine is CCc1cc(NC(CC2CCOCC2)c2ccccc2)nc(C)n1.
What is the InChIKey of 6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine?
The InChIKey is KWTJDSSLBSATCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-18-14-20(22-15(2)21-18)23-19(17-7-5-4-6-8-17)13-16-9-11-24-12-10-16/h4-8,14,16,19H,3,9-13H2,1-2H3,(H,21,22,23).
What are the key properties of 6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine?
6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine has a molecular weight of 325.46 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine is sourced from PubChem (CID 133462480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).