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

C14H17FN4 — CID 104606031

IUPACN'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine
SMILESCc1cccc(N(CCCN)c2ncc(F)cn2)c1
InChIInChI=1S/C14H17FN4/c1-11-4-2-5-13(8-11)19(7-3-6-16)14-17-9-12(15)10-18-14/h2,4-5,8-10H,3,6-7,16H2,1H3
InChIKeyNADGLDKUOPOJLX-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.41
Rot. Bonds5

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

N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine (PubChem CID 104606031) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine
PubChem CID104606031
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC NameN'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine
SMILESCc1cccc(N(CCCN)c2ncc(F)cn2)c1
InChIInChI=1S/C14H17FN4/c1-11-4-2-5-13(8-11)19(7-3-6-16)14-17-9-12(15)10-18-14/h2,4-5,8-10H,3,6-7,16H2,1H3
InChIKeyNADGLDKUOPOJLX-UHFFFAOYSA-N
XLogP2.41
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 104606037
N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine
CID 63208164
N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide
CID 104637909
N'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine
CID 61311558
N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698006
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
N'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 115974267
N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide
CID 28766949
N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine
CID 43136251
2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde
CID 113387632
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 105366470
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine (CID 104606031) is N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine is Cc1cccc(N(CCCN)c2ncc(F)cn2)c1.
What is the InChIKey of N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine?
The InChIKey is NADGLDKUOPOJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-11-4-2-5-13(8-11)19(7-3-6-16)14-17-9-12(15)10-18-14/h2,4-5,8-10H,3,6-7,16H2,1H3.
What are the key properties of N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine?
N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine has a molecular weight of 260.32 g/mol, XLogP of 2.41, 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'-(3-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 104606031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).