2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine

C14H18N4O2 — CID 115978129

IUPAC2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2nccc(N)n2)cc1OC
InChIInChI=1S/C14H18N4O2/c1-19-11-4-3-10(9-12(11)20-2)5-7-16-14-17-8-6-13(15)18-14/h3-4,6,8-9H,5,7H2,1-2H3,(H3,15,16,17,18)
InChIKeyLNLVSVDUPZSMGV-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.73
Rot. Bonds6

About 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine

2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 115978129) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID115978129
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2nccc(N)n2)cc1OC
InChIInChI=1S/C14H18N4O2/c1-19-11-4-3-10(9-12(11)20-2)5-7-16-14-17-8-6-13(15)18-14/h3-4,6,8-9H,5,7H2,1-2H3,(H3,15,16,17,18)
InChIKeyLNLVSVDUPZSMGV-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-benzyl-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112889425
6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine
CID 80646577
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892129
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893834
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553337
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893149
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
CID 46179762
4-N-(3-chlorophenyl)-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112897013
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889993
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
CID 112897002

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine (CID 115978129) is 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine is COc1ccc(CCNc2nccc(N)n2)cc1OC.
What is the InChIKey of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is LNLVSVDUPZSMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-11-4-3-10(9-12(11)20-2)5-7-16-14-17-8-6-13(15)18-14/h3-4,6,8-9H,5,7H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine?
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 274.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 115978129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).