N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine

C14H18N4O2 — CID 103278920

IUPACN'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCOc1ccc(-c2ccnc(NCCN)n2)cc1OC
InChIInChI=1S/C14H18N4O2/c1-19-12-4-3-10(9-13(12)20-2)11-5-7-16-14(18-11)17-8-6-15/h3-5,7,9H,6,8,15H2,1-2H3,(H,16,17,18)
InChIKeyCMMQZAKMRGSWJI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.53
Rot. Bonds6

About N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine

N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 103278920) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID103278920
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCOc1ccc(-c2ccnc(NCCN)n2)cc1OC
InChIInChI=1S/C14H18N4O2/c1-19-12-4-3-10(9-13(12)20-2)11-5-7-16-14(18-11)17-8-6-15/h3-5,7,9H,6,8,15H2,1-2H3,(H,16,17,18)
InChIKeyCMMQZAKMRGSWJI-UHFFFAOYSA-N
XLogP1.53
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine (CID 103278920) is N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine is COc1ccc(-c2ccnc(NCCN)n2)cc1OC.
What is the InChIKey of N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is CMMQZAKMRGSWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-12-4-3-10(9-13(12)20-2)11-5-7-16-14(18-11)17-8-6-15/h3-5,7,9H,6,8,15H2,1-2H3,(H,16,17,18).
What are the key properties of N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine?
N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 274.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 103278920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).