N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine

C11H19ClN4O — CID 80752001

IUPACN'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCOc1ncc(Cl)c(N(C)CC(C)(C)CN)n1
InChIInChI=1S/C11H19ClN4O/c1-11(2,6-13)7-16(3)9-8(12)5-14-10(15-9)17-4/h5H,6-7,13H2,1-4H3
InChIKeyDPGNRCXTGJAXBC-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.56
Rot. Bonds5

About N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine

N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 80752001) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID80752001
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC NameN'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCOc1ncc(Cl)c(N(C)CC(C)(C)CN)n1
InChIInChI=1S/C11H19ClN4O/c1-11(2,6-13)7-16(3)9-8(12)5-14-10(15-9)17-4/h5H,6-7,13H2,1-4H3
InChIKeyDPGNRCXTGJAXBC-UHFFFAOYSA-N
XLogP1.56
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-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 N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine (CID 80752001) is N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine is COc1ncc(Cl)c(N(C)CC(C)(C)CN)n1.
What is the InChIKey of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is DPGNRCXTGJAXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-11(2,6-13)7-16(3)9-8(12)5-14-10(15-9)17-4/h5H,6-7,13H2,1-4H3.
What are the key properties of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 258.75 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 80752001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).