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

C24H29N5O2 — CID 44526619

IUPAC2-N,6-bis(4-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NC3CCN(C)CC3)cc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H29N5O2/c1-29-14-12-19(13-15-29)25-23-16-22(17-4-8-20(30-2)9-5-17)27-24(28-23)26-18-6-10-21(31-3)11-7-18/h4-11,16,19H,12-15H2,1-3H3,(H2,25,26,27,28)
InChIKeyDUBAMPYPDNJLTO-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.41
Rot. Bonds7

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

2-N,6-bis(4-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 44526619) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-N,6-bis(4-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-bis(4-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID44526619
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-N,6-bis(4-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NC3CCN(C)CC3)cc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H29N5O2/c1-29-14-12-19(13-15-29)25-23-16-22(17-4-8-20(30-2)9-5-17)27-24(28-23)26-18-6-10-21(31-3)11-7-18/h4-11,16,19H,12-15H2,1-3H3,(H2,25,26,27,28)
InChIKeyDUBAMPYPDNJLTO-UHFFFAOYSA-N
XLogP4.41
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-bis(4-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-bis(4-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 44526619) is 2-N,6-bis(4-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-bis(4-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-bis(4-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine is COc1ccc(Nc2nc(NC3CCN(C)CC3)cc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2-N,6-bis(4-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is DUBAMPYPDNJLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-29-14-12-19(13-15-29)25-23-16-22(17-4-8-20(30-2)9-5-17)27-24(28-23)26-18-6-10-21(31-3)11-7-18/h4-11,16,19H,12-15H2,1-3H3,(H2,25,26,27,28).
What are the key properties of 2-N,6-bis(4-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
2-N,6-bis(4-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 419.53 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-bis(4-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44526619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).