N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine

C9H15FN4 — CID 115749816

IUPACN-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1ncc(F)cn1
InChIInChI=1S/C9H15FN4/c1-14(2)5-3-4-11-9-12-6-8(10)7-13-9/h6-7H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyBVRHWRLVSUGJKJ-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.98
Rot. Bonds5

About N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine

N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 115749816) has the molecular formula C9H15FN4 and a molecular weight of 198.25 g/mol. Its IUPAC name is N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID115749816
Molecular FormulaC9H15FN4
Molecular Weight198.25 g/mol
Exact Mass198.13
IUPAC NameN-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1ncc(F)cn1
InChIInChI=1S/C9H15FN4/c1-14(2)5-3-4-11-9-12-6-8(10)7-13-9/h6-7H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyBVRHWRLVSUGJKJ-UHFFFAOYSA-N
XLogP0.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-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-chloropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79555337
N'-benzyl-N-(5-fluoropyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 115749884
5-fluoro-N-octylpyrimidin-2-amine
CID 115765356
N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine
CID 114600534
4-N-[3-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80777373
5-fluoro-N-(4-methoxybutyl)pyrimidin-2-amine
CID 115749945
5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
CID 115749979
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 56646931
N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525058
2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
CID 109246483
N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 112703177
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 112703775

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine (CID 115749816) is N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1ncc(F)cn1.
What is the InChIKey of N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is BVRHWRLVSUGJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-14(2)5-3-4-11-9-12-6-8(10)7-13-9/h6-7H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 198.25 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115749816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).