2-N-(4-bromophenyl)-4-N,6-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine

C18H24BrN5 — CID 44530804

IUPAC2-N-(4-bromophenyl)-4-N,6-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCc1cc(N(C)C2CCN(C)CC2)nc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C18H24BrN5/c1-13-12-17(24(3)16-8-10-23(2)11-9-16)22-18(20-13)21-15-6-4-14(19)5-7-15/h4-7,12,16H,8-11H2,1-3H3,(H,20,21,22)
InChIKeyKUEUFWBHZKPEGS-UHFFFAOYSA-N
MW390.33 g/mol
LogP3.82
Rot. Bonds4

About 2-N-(4-bromophenyl)-4-N,6-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine

2-N-(4-bromophenyl)-4-N,6-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 44530804) has the molecular formula C18H24BrN5 and a molecular weight of 390.33 g/mol. Its IUPAC name is 2-N-(4-bromophenyl)-4-N,6-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-bromophenyl)-4-N,6-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID44530804
Molecular FormulaC18H24BrN5
Molecular Weight390.33 g/mol
Exact Mass389.12
IUPAC Name2-N-(4-bromophenyl)-4-N,6-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCc1cc(N(C)C2CCN(C)CC2)nc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C18H24BrN5/c1-13-12-17(24(3)16-8-10-23(2)11-9-16)22-18(20-13)21-15-6-4-14(19)5-7-15/h4-7,12,16H,8-11H2,1-3H3,(H,20,21,22)
InChIKeyKUEUFWBHZKPEGS-UHFFFAOYSA-N
XLogP3.82
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromophenyl)-4-N,6-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-bromophenyl)-4-N,6-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 44530804) is 2-N-(4-bromophenyl)-4-N,6-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-bromophenyl)-4-N,6-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-bromophenyl)-4-N,6-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine is Cc1cc(N(C)C2CCN(C)CC2)nc(Nc2ccc(Br)cc2)n1.
What is the InChIKey of 2-N-(4-bromophenyl)-4-N,6-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is KUEUFWBHZKPEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN5/c1-13-12-17(24(3)16-8-10-23(2)11-9-16)22-18(20-13)21-15-6-4-14(19)5-7-15/h4-7,12,16H,8-11H2,1-3H3,(H,20,21,22).
What are the key properties of 2-N-(4-bromophenyl)-4-N,6-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
2-N-(4-bromophenyl)-4-N,6-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 390.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromophenyl)-4-N,6-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44530804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).