4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

C14H26N4 — CID 80955537

IUPAC4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(NCCC)nc(C(C)C)n1
InChIInChI=1S/C14H26N4/c1-5-7-9-16-13-10-12(15-8-6-2)17-14(18-13)11(3)4/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyNLAWQFYZAIUXSG-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.63
Rot. Bonds8

About 4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80955537) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80955537
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(NCCC)nc(C(C)C)n1
InChIInChI=1S/C14H26N4/c1-5-7-9-16-13-10-12(15-8-6-2)17-14(18-13)11(3)4/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyNLAWQFYZAIUXSG-UHFFFAOYSA-N
XLogP3.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
4-N-[4-(dimethylamino)butyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967029
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-(2,2-dimethylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 103466665
4-N-(2-methylsulfanylethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960222
2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80955543
2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80960142
4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960186
6-heptoxy-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955663
4-N-(dicyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80962100
methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80956565

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 80955537) is 4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCCNc1cc(NCCC)nc(C(C)C)n1.
What is the InChIKey of 4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is NLAWQFYZAIUXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-7-9-16-13-10-12(15-8-6-2)17-14(18-13)11(3)4/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80955537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).