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

C14H18ClN3O2 — CID 2974153

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(CCNc2ccncn2)cc1OC.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-18-12-4-3-11(9-13(12)19-2)5-8-16-14-6-7-15-10-17-14;/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,15,16,17);1H
InChIKeyZGIDTJCIVZQVEH-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.57
Rot. Bonds6

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

N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride (PubChem CID 2974153) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride
PubChem CID2974153
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(CCNc2ccncn2)cc1OC.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-18-12-4-3-11(9-13(12)19-2)5-8-16-14-6-7-15-10-17-14;/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,15,16,17);1H
InChIKeyZGIDTJCIVZQVEH-UHFFFAOYSA-N
XLogP2.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride (CID 2974153) is N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride is COc1ccc(CCNc2ccncn2)cc1OC.Cl.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride?
The InChIKey is ZGIDTJCIVZQVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-18-12-4-3-11(9-13(12)19-2)5-8-16-14-6-7-15-10-17-14;/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,15,16,17);1H.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride?
N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 2974153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).