2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine

C15H28N4O — CID 56684317

IUPAC2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine
SMILESCCN(CC)C(CNc1nccc(OC)n1)CC(C)C
InChIInChI=1S/C15H28N4O/c1-6-19(7-2)13(10-12(3)4)11-17-15-16-9-8-14(18-15)20-5/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,16,17,18)
InChIKeyDUQDHVFFWLYUCX-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.65
Rot. Bonds9

About 2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine

2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine (PubChem CID 56684317) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine
PubChem CID56684317
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine
SMILESCCN(CC)C(CNc1nccc(OC)n1)CC(C)C
InChIInChI=1S/C15H28N4O/c1-6-19(7-2)13(10-12(3)4)11-17-15-16-9-8-14(18-15)20-5/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,16,17,18)
InChIKeyDUQDHVFFWLYUCX-UHFFFAOYSA-N
XLogP2.65
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine
CID 65036818
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
CID 64541292
N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 66089762
N-(2-chloro-4-methylpentyl)-4-propoxypyrimidin-2-amine
CID 107156240
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
CID 47012924
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine
CID 172904275
N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 102555419
N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide
CID 130219531
N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine
CID 112637900

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine (CID 56684317) is 2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine is CCN(CC)C(CNc1nccc(OC)n1)CC(C)C.
What is the InChIKey of 2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine?
The InChIKey is DUQDHVFFWLYUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-19(7-2)13(10-12(3)4)11-17-15-16-9-8-14(18-15)20-5/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,16,17,18).
What are the key properties of 2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine?
2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine has a molecular weight of 280.42 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 56684317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).