N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride

C13H16ClN3O — CID 2965286

IUPACN-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(CCNc2ccncn2)cc1.Cl
InChIInChI=1S/C13H15N3O.ClH/c1-17-12-4-2-11(3-5-12)6-9-15-13-7-8-14-10-16-13;/h2-5,7-8,10H,6,9H2,1H3,(H,14,15,16);1H
InChIKeyNXPKDNFWRNIVSY-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.56
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride

N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride (PubChem CID 2965286) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride
PubChem CID2965286
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(CCNc2ccncn2)cc1.Cl
InChIInChI=1S/C13H15N3O.ClH/c1-17-12-4-2-11(3-5-12)6-9-15-13-7-8-14-10-16-13;/h2-5,7-8,10H,6,9H2,1H3,(H,14,15,16);1H
InChIKeyNXPKDNFWRNIVSY-UHFFFAOYSA-N
XLogP2.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride (CID 2965286) is N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride is COc1ccc(CCNc2ccncn2)cc1.Cl.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride?
The InChIKey is NXPKDNFWRNIVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.ClH/c1-17-12-4-2-11(3-5-12)6-9-15-13-7-8-14-10-16-13;/h2-5,7-8,10H,6,9H2,1H3,(H,14,15,16);1H.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride?
N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 2965286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).