4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine

C15H29N5 — CID 112870573

IUPAC4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(NCCCN(C)C)nc(C)n1
InChIInChI=1S/C15H29N5/c1-6-7-11-20(5)15-12-14(17-13(2)18-15)16-9-8-10-19(3)4/h12H,6-11H2,1-5H3,(H,16,17,18)
InChIKeyYACLDOBFNDSNEC-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.38
Rot. Bonds9

About 4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine

4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 112870573) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID112870573
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(NCCCN(C)C)nc(C)n1
InChIInChI=1S/C15H29N5/c1-6-7-11-20(5)15-12-14(17-13(2)18-15)16-9-8-10-19(3)4/h12H,6-11H2,1-5H3,(H,16,17,18)
InChIKeyYACLDOBFNDSNEC-UHFFFAOYSA-N
XLogP2.38
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 82454010
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870568
6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109366606
6-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869453
N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine
CID 62483143
4-N-butyl-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80753744
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80959411
4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112876377
4-N-butyl-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80753579
4-N-butyl-2-cyclopropyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80955798
4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112876442

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine (CID 112870573) is 4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine is CCCCN(C)c1cc(NCCCN(C)C)nc(C)n1.
What is the InChIKey of 4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is YACLDOBFNDSNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-6-7-11-20(5)15-12-14(17-13(2)18-15)16-9-8-10-19(3)4/h12H,6-11H2,1-5H3,(H,16,17,18).
What are the key properties of 4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine?
4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 112870573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).