1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine

C11H18ClFN4 — CID 144518237

IUPAC1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine
SMILESCC(N)CCN(C)C(C)c1ncnc(Cl)c1F
InChIInChI=1S/C11H18ClFN4/c1-7(14)4-5-17(3)8(2)10-9(13)11(12)16-6-15-10/h6-8H,4-5,14H2,1-3H3
InChIKeyITDQTARSJUDQQE-UHFFFAOYSA-N
MW260.74 g/mol
LogP2.00
Rot. Bonds5

About 1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine

1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine (PubChem CID 144518237) has the molecular formula C11H18ClFN4 and a molecular weight of 260.74 g/mol. Its IUPAC name is 1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine
PubChem CID144518237
Molecular FormulaC11H18ClFN4
Molecular Weight260.74 g/mol
Exact Mass260.12
IUPAC Name1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine
SMILESCC(N)CCN(C)C(C)c1ncnc(Cl)c1F
InChIInChI=1S/C11H18ClFN4/c1-7(14)4-5-17(3)8(2)10-9(13)11(12)16-6-15-10/h6-8H,4-5,14H2,1-3H3
InChIKeyITDQTARSJUDQQE-UHFFFAOYSA-N
XLogP2.00
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-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

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine?
The IUPAC name of 1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine (CID 144518237) is 1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine is CC(N)CCN(C)C(C)c1ncnc(Cl)c1F.
What is the InChIKey of 1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine?
The InChIKey is ITDQTARSJUDQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClFN4/c1-7(14)4-5-17(3)8(2)10-9(13)11(12)16-6-15-10/h6-8H,4-5,14H2,1-3H3.
What are the key properties of 1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine?
1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine has a molecular weight of 260.74 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 144518237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).