4-N-[4-(4-chlorophenyl)phenyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine

C25H30ClN5 — CID 155528991

IUPAC4-N-[4-(4-chlorophenyl)phenyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCC1(C)CC(Nc2nccc(Nc3ccc(-c4ccc(Cl)cc4)cc3)n2)CC(C)(C)N1
InChIInChI=1S/C25H30ClN5/c1-24(2)15-21(16-25(3,4)31-24)29-23-27-14-13-22(30-23)28-20-11-7-18(8-12-20)17-5-9-19(26)10-6-17/h5-14,21,31H,15-16H2,1-4H3,(H2,27,28,29,30)
InChIKeyNTOKTLJCRGWDRL-UHFFFAOYSA-N
MW436.00 g/mol
LogP6.26
Rot. Bonds5

About 4-N-[4-(4-chlorophenyl)phenyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine

4-N-[4-(4-chlorophenyl)phenyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 155528991) has the molecular formula C25H30ClN5 and a molecular weight of 436.00 g/mol. Its IUPAC name is 4-N-[4-(4-chlorophenyl)phenyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[4-(4-chlorophenyl)phenyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID155528991
Molecular FormulaC25H30ClN5
Molecular Weight436.00 g/mol
Exact Mass435.22
IUPAC Name4-N-[4-(4-chlorophenyl)phenyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCC1(C)CC(Nc2nccc(Nc3ccc(-c4ccc(Cl)cc4)cc3)n2)CC(C)(C)N1
InChIInChI=1S/C25H30ClN5/c1-24(2)15-21(16-25(3,4)31-24)29-23-27-14-13-22(30-23)28-20-11-7-18(8-12-20)17-5-9-19(26)10-6-17/h5-14,21,31H,15-16H2,1-4H3,(H2,27,28,29,30)
InChIKeyNTOKTLJCRGWDRL-UHFFFAOYSA-N
XLogP6.26
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.00
LogP ≤ 56.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(4-chlorophenyl)phenyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[4-(4-chlorophenyl)phenyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 155528991) is 4-N-[4-(4-chlorophenyl)phenyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[4-(4-chlorophenyl)phenyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[4-(4-chlorophenyl)phenyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine is CC1(C)CC(Nc2nccc(Nc3ccc(-c4ccc(Cl)cc4)cc3)n2)CC(C)(C)N1.
What is the InChIKey of 4-N-[4-(4-chlorophenyl)phenyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is NTOKTLJCRGWDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5/c1-24(2)15-21(16-25(3,4)31-24)29-23-27-14-13-22(30-23)28-20-11-7-18(8-12-20)17-5-9-19(26)10-6-17/h5-14,21,31H,15-16H2,1-4H3,(H2,27,28,29,30).
What are the key properties of 4-N-[4-(4-chlorophenyl)phenyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine?
4-N-[4-(4-chlorophenyl)phenyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 436.00 g/mol, XLogP of 6.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(4-chlorophenyl)phenyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 155528991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).