2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine

C14H16ClN3O2 — CID 22308410

IUPAC2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2ccnc(Cl)n2)cc1OC
InChIInChI=1S/C14H16ClN3O2/c1-19-11-4-3-10(9-12(11)20-2)5-7-16-13-6-8-17-14(15)18-13/h3-4,6,8-9H,5,7H2,1-2H3,(H,16,17,18)
InChIKeyXMRFFDPJTXOEID-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.80
Rot. Bonds6

About 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine

2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine (PubChem CID 22308410) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine
PubChem CID22308410
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2ccnc(Cl)n2)cc1OC
InChIInChI=1S/C14H16ClN3O2/c1-19-11-4-3-10(9-12(11)20-2)5-7-16-13-6-8-17-14(15)18-13/h3-4,6,8-9H,5,7H2,1-2H3,(H,16,17,18)
InChIKeyXMRFFDPJTXOEID-UHFFFAOYSA-N
XLogP2.80
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897039
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893834
4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
CID 46179762
4-N-benzyl-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112889425
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895133
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892129
4-N-(3-chlorophenyl)-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112897013
6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine
CID 80646577
2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine
CID 11844762
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 115978129
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893149
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889993

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine (CID 22308410) is 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine is COc1ccc(CCNc2ccnc(Cl)n2)cc1OC.
What is the InChIKey of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is XMRFFDPJTXOEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-19-11-4-3-10(9-12(11)20-2)5-7-16-13-6-8-17-14(15)18-13/h3-4,6,8-9H,5,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine?
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 293.75 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 22308410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).