5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrimidin-4-amine

C22H18Cl2N4O — CID 10194700

IUPAC5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrimidin-4-amine
SMILESCOc1ccc2cc(-c3nc(N)c(CN)c(-c4ccc(Cl)cc4Cl)n3)ccc2c1
InChIInChI=1S/C22H18Cl2N4O/c1-29-16-6-4-12-8-14(3-2-13(12)9-16)22-27-20(18(11-25)21(26)28-22)17-7-5-15(23)10-19(17)24/h2-10H,11,25H2,1H3,(H2,26,27,28)
InChIKeyGMPOWYVNDCOTBA-UHFFFAOYSA-N
MW425.32 g/mol
LogP5.32
Rot. Bonds4

About 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrimidin-4-amine

5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrimidin-4-amine (PubChem CID 10194700) has the molecular formula C22H18Cl2N4O and a molecular weight of 425.32 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrimidin-4-amine
PubChem CID10194700
Molecular FormulaC22H18Cl2N4O
Molecular Weight425.32 g/mol
Exact Mass424.09
IUPAC Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrimidin-4-amine
SMILESCOc1ccc2cc(-c3nc(N)c(CN)c(-c4ccc(Cl)cc4Cl)n3)ccc2c1
InChIInChI=1S/C22H18Cl2N4O/c1-29-16-6-4-12-8-14(3-2-13(12)9-16)22-27-20(18(11-25)21(26)28-22)17-7-5-15(23)10-19(17)24/h2-10H,11,25H2,1H3,(H2,26,27,28)
InChIKeyGMPOWYVNDCOTBA-UHFFFAOYSA-N
XLogP5.32
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrimidin-4-amine (CID 10194700) is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrimidin-4-amine is COc1ccc2cc(-c3nc(N)c(CN)c(-c4ccc(Cl)cc4Cl)n3)ccc2c1.
What is the InChIKey of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrimidin-4-amine?
The InChIKey is GMPOWYVNDCOTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O/c1-29-16-6-4-12-8-14(3-2-13(12)9-16)22-27-20(18(11-25)21(26)28-22)17-7-5-15(23)10-19(17)24/h2-10H,11,25H2,1H3,(H2,26,27,28).
What are the key properties of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrimidin-4-amine?
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrimidin-4-amine has a molecular weight of 425.32 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(6-methoxynaphthalen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 10194700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).