4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

C14H26N4 — CID 80933822

IUPAC4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(NCCC)nc(CC)n1
InChIInChI=1S/C14H26N4/c1-5-8-10-18(4)14-11-13(15-9-6-2)16-12(7-3)17-14/h11H,5-10H2,1-4H3,(H,15,16,17)
InChIKeyQDZNAQKRENEJDL-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.10
Rot. Bonds8

About 4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80933822) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80933822
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(NCCC)nc(CC)n1
InChIInChI=1S/C14H26N4/c1-5-8-10-18(4)14-11-13(15-9-6-2)16-12(7-3)17-14/h11H,5-10H2,1-4H3,(H,15,16,17)
InChIKeyQDZNAQKRENEJDL-UHFFFAOYSA-N
XLogP3.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80935287
4-N-(2-ethoxyethyl)-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 81068419
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80933276
4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945395
4-N-butyl-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80753744
4-N-butyl-2-cyclopropyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80955798
4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954589
4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
CID 113401240
4-N-(2-methoxyethyl)-4-N-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954731
3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80945818
4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112870573

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80933822) is 4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is CCCCN(C)c1cc(NCCC)nc(CC)n1.
What is the InChIKey of 4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is QDZNAQKRENEJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-8-10-18(4)14-11-13(15-9-6-2)16-12(7-3)17-14/h11H,5-10H2,1-4H3,(H,15,16,17).
What are the key properties of 4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80933822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).