5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

C24H29N5O2S — CID 130430959

IUPAC5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1nc(N)ncc1-c1ccccc1C1CCNCC1
InChIInChI=1S/C24H29N5O2S/c1-16(2)32(30,31)22-10-6-5-9-21(22)28-23-20(15-27-24(25)29-23)19-8-4-3-7-18(19)17-11-13-26-14-12-17/h3-10,15-17,26H,11-14H2,1-2H3,(H3,25,27,28,29)
InChIKeyQDLVJIPPAWJBCQ-UHFFFAOYSA-N
MW451.60 g/mol
LogP4.12
Rot. Bonds6

About 5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 130430959) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is 5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
PubChem CID130430959
Molecular FormulaC24H29N5O2S
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC Name5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1nc(N)ncc1-c1ccccc1C1CCNCC1
InChIInChI=1S/C24H29N5O2S/c1-16(2)32(30,31)22-10-6-5-9-21(22)28-23-20(15-27-24(25)29-23)19-8-4-3-7-18(19)17-11-13-26-14-12-17/h3-10,15-17,26H,11-14H2,1-2H3,(H3,25,27,28,29)
InChIKeyQDLVJIPPAWJBCQ-UHFFFAOYSA-N
XLogP4.12
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 130430959) is 5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is CC(C)S(=O)(=O)c1ccccc1Nc1nc(N)ncc1-c1ccccc1C1CCNCC1.
What is the InChIKey of 5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The InChIKey is QDLVJIPPAWJBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-16(2)32(30,31)22-10-6-5-9-21(22)28-23-20(15-27-24(25)29-23)19-8-4-3-7-18(19)17-11-13-26-14-12-17/h3-10,15-17,26H,11-14H2,1-2H3,(H3,25,27,28,29).
What are the key properties of 5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 451.60 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 130430959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).