N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine

C14H23FN4 — CID 114156444

IUPACN'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNc1cc(F)ncn1)C1CCCCC1
InChIInChI=1S/C14H23FN4/c1-19(12-6-3-2-4-7-12)9-5-8-16-14-10-13(15)17-11-18-14/h10-12H,2-9H2,1H3,(H,16,17,18)
InChIKeyPIXLMYZQIUJLGN-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.68
Rot. Bonds6

About N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine

N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine (PubChem CID 114156444) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine
PubChem CID114156444
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC NameN'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNc1cc(F)ncn1)C1CCCCC1
InChIInChI=1S/C14H23FN4/c1-19(12-6-3-2-4-7-12)9-5-8-16-14-10-13(15)17-11-18-14/h10-12H,2-9H2,1H3,(H,16,17,18)
InChIKeyPIXLMYZQIUJLGN-UHFFFAOYSA-N
XLogP2.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.68
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'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 66327031
N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine
CID 61313714
N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 106193008
6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine
CID 80648183
N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 106193011
N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine
CID 115416489
N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine
CID 51890557
N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63317997
4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide
CID 60980958
4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one
CID 114392005
N'-cyclohexyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)propane-1,3-diamine
CID 106193002
N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 54880422

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine (CID 114156444) is N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine is CN(CCCNc1cc(F)ncn1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is PIXLMYZQIUJLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-19(12-6-3-2-4-7-12)9-5-8-16-14-10-13(15)17-11-18-14/h10-12H,2-9H2,1H3,(H,16,17,18).
What are the key properties of N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine?
N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 266.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 114156444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).