N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine

C14H17FN4 — CID 63208164

IUPACN'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine
SMILESCc1cnc(N(CCCN)c2ccc(F)cc2)nc1
InChIInChI=1S/C14H17FN4/c1-11-9-17-14(18-10-11)19(8-2-7-16)13-5-3-12(15)4-6-13/h3-6,9-10H,2,7-8,16H2,1H3
InChIKeyNKJQOVHCHVPGSA-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.41
Rot. Bonds5

About N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine

N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine (PubChem CID 63208164) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine
PubChem CID63208164
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC NameN'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine
SMILESCc1cnc(N(CCCN)c2ccc(F)cc2)nc1
InChIInChI=1S/C14H17FN4/c1-11-9-17-14(18-10-11)19(8-2-7-16)13-5-3-12(15)4-6-13/h3-6,9-10H,2,7-8,16H2,1H3
InChIKeyNKJQOVHCHVPGSA-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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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine (CID 63208164) is N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine is Cc1cnc(N(CCCN)c2ccc(F)cc2)nc1.
What is the InChIKey of N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is NKJQOVHCHVPGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-11-9-17-14(18-10-11)19(8-2-7-16)13-5-3-12(15)4-6-13/h3-6,9-10H,2,7-8,16H2,1H3.
What are the key properties of N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine?
N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)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'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 63208164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).