4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine

C13H25N5 — CID 114149259

IUPAC4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCC(C)(C)CCCN)n1
InChIInChI=1S/C13H25N5/c1-13(2,7-5-8-14)10-16-11-6-9-15-12(17-11)18(3)4/h6,9H,5,7-8,10,14H2,1-4H3,(H,15,16,17)
InChIKeyDILQXPWFRUJJDG-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.72
Rot. Bonds7

About 4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine

4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 114149259) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID114149259
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCC(C)(C)CCCN)n1
InChIInChI=1S/C13H25N5/c1-13(2,7-5-8-14)10-16-11-6-9-15-12(17-11)18(3)4/h6,9H,5,7-8,10,14H2,1-4H3,(H,15,16,17)
InChIKeyDILQXPWFRUJJDG-UHFFFAOYSA-N
XLogP1.72
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 106142001
4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64829141
2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 64829676
2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 64830478
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 64831444
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 64828497
4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 115689924
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64830672
4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 64830834
4-N-(1-chloro-2-methylbutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 65028759
2-N,2-N-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 64829086
N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 114149316

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 114149259) is 4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nccc(NCC(C)(C)CCCN)n1.
What is the InChIKey of 4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is DILQXPWFRUJJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-13(2,7-5-8-14)10-16-11-6-9-15-12(17-11)18(3)4/h6,9H,5,7-8,10,14H2,1-4H3,(H,15,16,17).
What are the key properties of 4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-amino-2,2-dimethylpentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 114149259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).