4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

C16H30N4O — CID 66325658

IUPAC4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCOc1cc(NC(C)CCCN(CC)CC)nc(C)n1
InChIInChI=1S/C16H30N4O/c1-6-20(7-2)11-9-10-13(4)17-15-12-16(21-8-3)19-14(5)18-15/h12-13H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyHGEYEVVLMLLZCX-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.11
Rot. Bonds10

About 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 66325658) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID66325658
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCOc1cc(NC(C)CCCN(CC)CC)nc(C)n1
InChIInChI=1S/C16H30N4O/c1-6-20(7-2)11-9-10-13(4)17-15-12-16(21-8-3)19-14(5)18-15/h12-13H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyHGEYEVVLMLLZCX-UHFFFAOYSA-N
XLogP3.11
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one
CID 136955975
4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine
CID 80785658
6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 66325292
2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile
CID 83073411
1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine
CID 43095595
4-N-(4,6-dimethoxypyrimidin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 115354932
6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine
CID 106026606
1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 66324853
(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
CID 40545835
6-[2-(diethylamino)ethoxy]-N-ethyl-2-methylpyrimidin-4-amine
CID 80871813
4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64831242
N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66331918

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 66325658) is 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCOc1cc(NC(C)CCCN(CC)CC)nc(C)n1.
What is the InChIKey of 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is HGEYEVVLMLLZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-6-20(7-2)11-9-10-13(4)17-15-12-16(21-8-3)19-14(5)18-15/h12-13H,6-11H2,1-5H3,(H,17,18,19).
What are the key properties of 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 66325658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).