6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine

C19H27N5O — CID 44526623

IUPAC6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCCc1cc(NC2CCN(C)CC2)nc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C19H27N5O/c1-4-14-13-18(20-15-8-10-24(2)11-9-15)23-19(21-14)22-16-6-5-7-17(12-16)25-3/h5-7,12-13,15H,4,8-11H2,1-3H3,(H2,20,21,22,23)
InChIKeyRADSCMHXMNFHII-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.30
Rot. Bonds6

About 6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine

6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 44526623) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID44526623
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCCc1cc(NC2CCN(C)CC2)nc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C19H27N5O/c1-4-14-13-18(20-15-8-10-24(2)11-9-15)23-19(21-14)22-16-6-5-7-17(12-16)25-3/h5-7,12-13,15H,4,8-11H2,1-3H3,(H2,20,21,22,23)
InChIKeyRADSCMHXMNFHII-UHFFFAOYSA-N
XLogP3.30
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 44526623) is 6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine is CCc1cc(NC2CCN(C)CC2)nc(Nc2cccc(OC)c2)n1.
What is the InChIKey of 6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is RADSCMHXMNFHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-4-14-13-18(20-15-8-10-24(2)11-9-15)23-19(21-14)22-16-6-5-7-17(12-16)25-3/h5-7,12-13,15H,4,8-11H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 341.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44526623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).