4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine

C16H29N5 — CID 105420923

IUPAC4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C16H29N5/c1-6-8-13-18-14(17-2)11-15(19-13)21(5)12-16(20(3)4)9-7-10-16/h11H,6-10,12H2,1-5H3,(H,17,18,19)
InChIKeyXMXFMUQTCFQIAX-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.39
Rot. Bonds7

About 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine

4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine (PubChem CID 105420923) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine
PubChem CID105420923
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C16H29N5/c1-6-8-13-18-14(17-2)11-15(19-13)21(5)12-16(20(3)4)9-7-10-16/h11H,6-10,12H2,1-5H3,(H,17,18,19)
InChIKeyXMXFMUQTCFQIAX-UHFFFAOYSA-N
XLogP2.39
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-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 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine (CID 105420923) is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)cc(N(C)CC2(N(C)C)CCC2)n1.
What is the InChIKey of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is XMXFMUQTCFQIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-6-8-13-18-14(17-2)11-15(19-13)21(5)12-16(20(3)4)9-7-10-16/h11H,6-10,12H2,1-5H3,(H,17,18,19).
What are the key properties of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine?
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 105420923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).