N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine

C16H22N4O — CID 102555419

IUPACN'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccnc(NCC(c2ccc(C)cc2)N(C)C)n1
InChIInChI=1S/C16H22N4O/c1-12-5-7-13(8-6-12)14(20(2)3)11-18-16-17-10-9-15(19-16)21-4/h5-10,14H,11H2,1-4H3,(H,17,18,19)
InChIKeySCFOESPOGZSSQE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.51
Rot. Bonds6

About N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine

N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 102555419) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID102555419
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccnc(NCC(c2ccc(C)cc2)N(C)C)n1
InChIInChI=1S/C16H22N4O/c1-12-5-7-13(8-6-12)14(20(2)3)11-18-16-17-10-9-15(19-16)21-4/h5-10,14H,11H2,1-4H3,(H,17,18,19)
InChIKeySCFOESPOGZSSQE-UHFFFAOYSA-N
XLogP2.51
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
CID 47012924
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 56553548
N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine
CID 65036818
N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 66089762
2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol
CID 133375715
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine
CID 56684317
3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
CID 64541292
1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
CID 133289929
N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine
CID 80507401
N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 112683349

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine (CID 102555419) is N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine is COc1ccnc(NCC(c2ccc(C)cc2)N(C)C)n1.
What is the InChIKey of N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is SCFOESPOGZSSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-5-7-13(8-6-12)14(20(2)3)11-18-16-17-10-9-15(19-16)21-4/h5-10,14H,11H2,1-4H3,(H,17,18,19).
What are the key properties of N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine?
N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 102555419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).