N-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine

C16H30N4 — CID 62744130

IUPACN-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC)CCc1nc(C)cc(CNCC(C)C)n1
InChIInChI=1S/C16H30N4/c1-6-20(7-2)9-8-16-18-14(5)10-15(19-16)12-17-11-13(3)4/h10,13,17H,6-9,11-12H2,1-5H3
InChIKeyXFEPVYREKQYTPN-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.41
Rot. Bonds9

About N-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine

N-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62744130) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID62744130
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC)CCc1nc(C)cc(CNCC(C)C)n1
InChIInChI=1S/C16H30N4/c1-6-20(7-2)9-8-16-18-14(5)10-15(19-16)12-17-11-13(3)4/h10,13,17H,6-9,11-12H2,1-5H3
InChIKeyXFEPVYREKQYTPN-UHFFFAOYSA-N
XLogP2.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62746762
2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103476573
N-[[3-chloro-6-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296834
N-[[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 115347182
2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 55114573
3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol
CID 107922025
N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62746589
N-[[2-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62746412
N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine
CID 63487572
N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 65141247
N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 79964514
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]ethanamine
CID 116892597

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine (CID 62744130) is N-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine is CCN(CC)CCc1nc(C)cc(CNCC(C)C)n1.
What is the InChIKey of N-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XFEPVYREKQYTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-20(7-2)9-8-16-18-14(5)10-15(19-16)12-17-11-13(3)4/h10,13,17H,6-9,11-12H2,1-5H3.
What are the key properties of N-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
N-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62744130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).