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

C9H15FN4 — CID 104606129

IUPACN'-(5-fluoropyrimidin-2-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)c1ncc(F)cn1
InChIInChI=1S/C9H15FN4/c1-11-4-3-5-14(2)9-12-6-8(10)7-13-9/h6-7,11H,3-5H2,1-2H3
InChIKeyGQTOPTYAQSEEJN-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.66
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 104606129) 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 CID104606129
Molecular FormulaC9H15FN4
Molecular Weight198.25 g/mol
Exact Mass198.13
IUPAC NameN'-(5-fluoropyrimidin-2-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)c1ncc(F)cn1
InChIInChI=1S/C9H15FN4/c1-11-4-3-5-14(2)9-12-6-8(10)7-13-9/h6-7,11H,3-5H2,1-2H3
InChIKeyGQTOPTYAQSEEJN-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine
CID 116977474
tert-butyl N-[3-[(5-fluoropyrimidin-2-yl)-methylamino]propyl]carbamate
CID 75482555
N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 63872493
N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115749816
N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine
CID 105369023
N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
CID 69151207
N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116977334
3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid
CID 105382506
N-butyl-5-iodo-N-methylpyrimidin-2-amine
CID 115620517
3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile
CID 115749937
N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 104606790
N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 61311958

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 104606129) 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 CNCCCN(C)c1ncc(F)cn1.
What is the InChIKey of N'-(5-fluoropyrimidin-2-yl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is GQTOPTYAQSEEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-11-4-3-5-14(2)9-12-6-8(10)7-13-9/h6-7,11H,3-5H2,1-2H3.
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 0.66, 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 104606129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).