N-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine

C15H20N4 — CID 102536236

IUPACN-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine
SMILESCCNc1ncc(CNC(C)c2ccccc2)cn1
InChIInChI=1S/C15H20N4/c1-3-16-15-18-10-13(11-19-15)9-17-12(2)14-7-5-4-6-8-14/h4-8,10-12,17H,3,9H2,1-2H3,(H,16,18,19)
InChIKeyAMCKPWQAICUHGL-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.76
Rot. Bonds6

About N-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine

N-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine (PubChem CID 102536236) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine
PubChem CID102536236
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine
SMILESCCNc1ncc(CNC(C)c2ccccc2)cn1
InChIInChI=1S/C15H20N4/c1-3-16-15-18-10-13(11-19-15)9-17-12(2)14-7-5-4-6-8-14/h4-8,10-12,17H,3,9H2,1-2H3,(H,16,18,19)
InChIKeyAMCKPWQAICUHGL-UHFFFAOYSA-N
XLogP2.76
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine
CID 102536040
(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 78950279
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
CID 102536247
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine (CID 102536236) is N-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine is CCNc1ncc(CNC(C)c2ccccc2)cn1.
What is the InChIKey of N-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine?
The InChIKey is AMCKPWQAICUHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-16-15-18-10-13(11-19-15)9-17-12(2)14-7-5-4-6-8-14/h4-8,10-12,17H,3,9H2,1-2H3,(H,16,18,19).
What are the key properties of N-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine?
N-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine has a molecular weight of 256.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine is sourced from PubChem (CID 102536236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).