N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C12H21ClN4 — CID 80936890

IUPACN-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCc1nc(Cl)cc(NCCN(C)C(C)C)n1
InChIInChI=1S/C12H21ClN4/c1-5-11-15-10(13)8-12(16-11)14-6-7-17(4)9(2)3/h8-9H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyUFKCIOLJEGRERO-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.44
Rot. Bonds6

About N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 80936890) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID80936890
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC NameN-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCc1nc(Cl)cc(NCCN(C)C(C)C)n1
InChIInChI=1S/C12H21ClN4/c1-5-11-15-10(13)8-12(16-11)14-6-7-17(4)9(2)3/h8-9H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyUFKCIOLJEGRERO-UHFFFAOYSA-N
XLogP2.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 80937853
N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 80940887
2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80936600
2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80935114
6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80935562
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162556
3-[2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83113578
N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80938806
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944
4-N-[2-(dimethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933851
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 80936890) is N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CCc1nc(Cl)cc(NCCN(C)C(C)C)n1.
What is the InChIKey of N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is UFKCIOLJEGRERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-5-11-15-10(13)8-12(16-11)14-6-7-17(4)9(2)3/h8-9H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 256.78 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 80936890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).