5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine

C14H25BrN4 — CID 83147667

IUPAC5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NCC(C)C(C)(C)C)n1
InChIInChI=1S/C14H25BrN4/c1-6-7-16-13-18-9-11(15)12(19-13)17-8-10(2)14(3,4)5/h9-10H,6-8H2,1-5H3,(H2,16,17,18,19)
InChIKeyMLDIRUYXKDQOTH-UHFFFAOYSA-N
MW329.29 g/mol
LogP4.16
Rot. Bonds6

About 5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine

5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine (PubChem CID 83147667) has the molecular formula C14H25BrN4 and a molecular weight of 329.29 g/mol. Its IUPAC name is 5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
PubChem CID83147667
Molecular FormulaC14H25BrN4
Molecular Weight329.29 g/mol
Exact Mass328.13
IUPAC Name5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NCC(C)C(C)(C)C)n1
InChIInChI=1S/C14H25BrN4/c1-6-7-16-13-18-9-11(15)12(19-13)17-8-10(2)14(3,4)5/h9-10H,6-8H2,1-5H3,(H2,16,17,18,19)
InChIKeyMLDIRUYXKDQOTH-UHFFFAOYSA-N
XLogP4.16
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80845273
5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
CID 80768856
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179478
5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine
CID 82949363
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80843445
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347577
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80789415
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280543
5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 102908907
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine (CID 83147667) is 5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine is CCCNc1ncc(Br)c(NCC(C)C(C)(C)C)n1.
What is the InChIKey of 5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine?
The InChIKey is MLDIRUYXKDQOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4/c1-6-7-16-13-18-9-11(15)12(19-13)17-8-10(2)14(3,4)5/h9-10H,6-8H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine?
5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine has a molecular weight of 329.29 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 83147667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).