N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine

C12H21ClN4 — CID 103721020

IUPACN-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNc1cc(Cl)nc(C)n1
InChIInChI=1S/C12H21ClN4/c1-4-7-17(5-2)8-6-14-12-9-11(13)15-10(3)16-12/h9H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyDWWQENZMQSNRCH-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.58
Rot. Bonds7

About N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine

N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine (PubChem CID 103721020) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
PubChem CID103721020
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC NameN-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNc1cc(Cl)nc(C)n1
InChIInChI=1S/C12H21ClN4/c1-4-7-17(5-2)8-6-14-12-9-11(13)15-10(3)16-12/h9H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyDWWQENZMQSNRCH-UHFFFAOYSA-N
XLogP2.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635870
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80769927
4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 76852081
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 113400798
N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine
CID 115605791
N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 133288706
N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine
CID 82454422
N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 114133171
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577
6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576938
N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 80940887

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine (CID 103721020) is N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine is CCCN(CC)CCNc1cc(Cl)nc(C)n1.
What is the InChIKey of N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The InChIKey is DWWQENZMQSNRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-4-7-17(5-2)8-6-14-12-9-11(13)15-10(3)16-12/h9H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine has a molecular weight of 256.78 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 103721020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).