6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine

C22H33N5 — CID 175473006

IUPAC6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine
SMILESCCCC(C)Nc1cc(Cc2ccc(C3CCN(C)CC3)cc2)nc(N)n1
InChIInChI=1S/C22H33N5/c1-4-5-16(2)24-21-15-20(25-22(23)26-21)14-17-6-8-18(9-7-17)19-10-12-27(3)13-11-19/h6-9,15-16,19H,4-5,10-14H2,1-3H3,(H3,23,24,25,26)
InChIKeyUKMBCKMGYOFNFA-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.06
Rot. Bonds7

About 6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine

6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine (PubChem CID 175473006) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is 6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine
PubChem CID175473006
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC Name6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine
SMILESCCCC(C)Nc1cc(Cc2ccc(C3CCN(C)CC3)cc2)nc(N)n1
InChIInChI=1S/C22H33N5/c1-4-5-16(2)24-21-15-20(25-22(23)26-21)14-17-6-8-18(9-7-17)19-10-12-27(3)13-11-19/h6-9,15-16,19H,4-5,10-14H2,1-3H3,(H3,23,24,25,26)
InChIKeyUKMBCKMGYOFNFA-UHFFFAOYSA-N
XLogP4.06
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine (CID 175473006) is 6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine is CCCC(C)Nc1cc(Cc2ccc(C3CCN(C)CC3)cc2)nc(N)n1.
What is the InChIKey of 6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine?
The InChIKey is UKMBCKMGYOFNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5/c1-4-5-16(2)24-21-15-20(25-22(23)26-21)14-17-6-8-18(9-7-17)19-10-12-27(3)13-11-19/h6-9,15-16,19H,4-5,10-14H2,1-3H3,(H3,23,24,25,26).
What are the key properties of 6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine?
6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine has a molecular weight of 367.54 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 175473006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).