2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine

C19H27N5 — CID 112881882

IUPAC2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2ccc(N3CCC(C)CC3)cc2)n1
InChIInChI=1S/C19H27N5/c1-3-11-20-18-8-12-21-19(23-18)22-16-4-6-17(7-5-16)24-13-9-15(2)10-14-24/h4-8,12,15H,3,9-11,13-14H2,1-2H3,(H2,20,21,22,23)
InChIKeyGKGZNYOTFOPJKJ-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.28
Rot. Bonds6

About 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine

2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine (PubChem CID 112881882) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine
PubChem CID112881882
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2ccc(N3CCC(C)CC3)cc2)n1
InChIInChI=1S/C19H27N5/c1-3-11-20-18-8-12-21-19(23-18)22-16-4-6-17(7-5-16)24-13-9-15(2)10-14-24/h4-8,12,15H,3,9-11,13-14H2,1-2H3,(H2,20,21,22,23)
InChIKeyGKGZNYOTFOPJKJ-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'}

Analyze 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881881
2-N-(4-methoxyphenyl)-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112904779
2-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112887864
2-N-(3-methylphenyl)-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901921
2-N-(3-methoxyphenyl)-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112904686
N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885157
4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883290
2-N-butyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883113
N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109299931
2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883114
2-N-(3-chloro-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881848
4-N-(2-chloropyrimidin-4-yl)-2-N-[4-[4-(methylamino)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
CID 159568006

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine (CID 112881882) is 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine is CCCNc1ccnc(Nc2ccc(N3CCC(C)CC3)cc2)n1.
What is the InChIKey of 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is GKGZNYOTFOPJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-3-11-20-18-8-12-21-19(23-18)22-16-4-6-17(7-5-16)24-13-9-15(2)10-14-24/h4-8,12,15H,3,9-11,13-14H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine?
2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-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 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112881882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).