2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine

C18H25N5 — CID 112881881

IUPAC2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C18H25N5/c1-2-11-19-17-10-12-20-18(22-17)21-15-6-8-16(9-7-15)23-13-4-3-5-14-23/h6-10,12H,2-5,11,13-14H2,1H3,(H2,19,20,21,22)
InChIKeyWHBNCBVWASEQIS-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.03
Rot. Bonds6

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

2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 112881881) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID112881881
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C18H25N5/c1-2-11-19-17-10-12-20-18(22-17)21-15-6-8-16(9-7-15)23-13-4-3-5-14-23/h6-10,12H,2-5,11,13-14H2,1H3,(H2,19,20,21,22)
InChIKeyWHBNCBVWASEQIS-UHFFFAOYSA-N
XLogP4.03
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.03
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-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine
CID 112881882
4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883290
2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883114
2-N-butyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883113
4-N-propan-2-yl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112882085
4-N-[(4-chlorophenyl)methyl]-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112891976
2-N-[4-(dimethylamino)phenyl]-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112906073
2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883773
2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 116796160
2-N,2-N-diethyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112899225
4-N-(2-chlorophenyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112903597
2-N-[3-(dimethylamino)propyl]-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112887862

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine (CID 112881881) is 2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1ccnc(Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is WHBNCBVWASEQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-2-11-19-17-10-12-20-18(22-17)21-15-6-8-16(9-7-15)23-13-4-3-5-14-23/h6-10,12H,2-5,11,13-14H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine?
2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 311.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112881881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).