4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine

C19H27N5 — CID 112883290

IUPAC4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1ccnc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C19H27N5/c1-15(2)14-21-18-10-11-20-19(23-18)22-16-6-8-17(9-7-16)24-12-4-3-5-13-24/h6-11,15H,3-5,12-14H2,1-2H3,(H2,20,21,22,23)
InChIKeyLEJIFVGUOCORNA-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.28
Rot. Bonds6

About 4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine

4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112883290) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112883290
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1ccnc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C19H27N5/c1-15(2)14-21-18-10-11-20-19(23-18)22-16-6-8-17(9-7-16)24-12-4-3-5-13-24/h6-11,15H,3-5,12-14H2,1-2H3,(H2,20,21,22,23)
InChIKeyLEJIFVGUOCORNA-UHFFFAOYSA-N
XLogP4.28
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881881
4-N-propan-2-yl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112882085
2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883773
4-N-[(4-chlorophenyl)methyl]-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112891976
N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109297037
2-N-[4-(dimethylamino)phenyl]-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112906073
2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883114
N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112883142
2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 116796160
4-N-(2-methylpropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883295
2-N-butyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883113
4-N-(2-chlorophenyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112903597

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine (CID 112883290) is 4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine is CC(C)CNc1ccnc(Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is LEJIFVGUOCORNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-15(2)14-21-18-10-11-20-19(23-18)22-16-6-8-17(9-7-16)24-12-4-3-5-13-24/h6-11,15H,3-5,12-14H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 325.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112883290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).