N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine

C9H16N4O — CID 66325776

IUPACN-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc(NCCN(C)C)ncn1
InChIInChI=1S/C9H16N4O/c1-13(2)5-4-10-8-6-9(14-3)12-7-11-8/h6-7H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyJLOYAHVNBCPBRQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.46
Rot. Bonds5

About N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine

N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 66325776) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID66325776
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc(NCCN(C)C)ncn1
InChIInChI=1S/C9H16N4O/c1-13(2)5-4-10-8-6-9(14-3)12-7-11-8/h6-7H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyJLOYAHVNBCPBRQ-UHFFFAOYSA-N
XLogP0.46
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
N'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 66327031
N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 61225693
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519
N-(4-chlorobutyl)-6-methoxypyrimidin-4-amine
CID 106845025
4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 80770931
N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine
CID 107846090
6-N-[2-(dimethylamino)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112857387
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 61234929
6-methoxy-N-pent-3-ynylpyrimidin-4-amine
CID 116644427
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (CID 66325776) is N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is COc1cc(NCCN(C)C)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is JLOYAHVNBCPBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13(2)5-4-10-8-6-9(14-3)12-7-11-8/h6-7H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 196.25 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 66325776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).