N-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine

C11H19FN4 — CID 106142510

IUPACN-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine
SMILESCC(C)(CCCN)CNc1ncc(F)cn1
InChIInChI=1S/C11H19FN4/c1-11(2,4-3-5-13)8-16-10-14-6-9(12)7-15-10/h6-7H,3-5,8,13H2,1-2H3,(H,14,15,16)
InChIKeyUSKZTYFMNFYXAQ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.79
Rot. Bonds6

About N-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine

N-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine (PubChem CID 106142510) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine
PubChem CID106142510
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC NameN-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine
SMILESCC(C)(CCCN)CNc1ncc(F)cn1
InChIInChI=1S/C11H19FN4/c1-11(2,4-3-5-13)8-16-10-14-6-9(12)7-15-10/h6-7H,3-5,8,13H2,1-2H3,(H,14,15,16)
InChIKeyUSKZTYFMNFYXAQ-UHFFFAOYSA-N
XLogP1.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 106142919
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 112703775
N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142088
5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
CID 106293605
5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine
CID 115750228
N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine
CID 106142341
2,2-dimethyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pentane-1,5-diamine
CID 106142913
1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine
CID 104606339
3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine
CID 106287311
5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine
CID 115749945
N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine
CID 106142695
N-(5-fluoropyrimidin-2-yl)-2-propylbutane-1,4-diamine
CID 106116387

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine?
The IUPAC name of N-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine (CID 106142510) is N-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine.
What is the SMILES notation for N-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine?
The canonical SMILES for N-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine is CC(C)(CCCN)CNc1ncc(F)cn1.
What is the InChIKey of N-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine?
The InChIKey is USKZTYFMNFYXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-11(2,4-3-5-13)8-16-10-14-6-9(12)7-15-10/h6-7H,3-5,8,13H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine?
N-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine has a molecular weight of 226.30 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine is sourced from PubChem (CID 106142510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).