N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine

C11H19ClN4 — CID 63734589

IUPACN-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCCc1c(Cl)ncnc1NCCN(C)C
InChIInChI=1S/C11H19ClN4/c1-4-5-9-10(12)14-8-15-11(9)13-6-7-16(2)3/h8H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyYKDVLVUMXJPZIX-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.06
Rot. Bonds6

About N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine

N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 63734589) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID63734589
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC NameN-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCCc1c(Cl)ncnc1NCCN(C)C
InChIInChI=1S/C11H19ClN4/c1-4-5-9-10(12)14-8-15-11(9)13-6-7-16(2)3/h8H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyYKDVLVUMXJPZIX-UHFFFAOYSA-N
XLogP2.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
CID 63736464
6-chloro-N-(2-ethoxyethyl)-5-propylpyrimidin-4-amine
CID 63730290
6-chloro-N-(3-methylsulfanylpropyl)-5-propylpyrimidin-4-amine
CID 63959272
6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327992
N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729398
6-chloro-N-(2-prop-2-enylsulfanylethyl)-5-propylpyrimidin-4-amine
CID 106431886
6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine
CID 63729687
5-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 106811696
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide
CID 63736500
6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 114173942
6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine
CID 80895521
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (CID 63734589) is N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is CCCc1c(Cl)ncnc1NCCN(C)C.
What is the InChIKey of N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is YKDVLVUMXJPZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-4-5-9-10(12)14-8-15-11(9)13-6-7-16(2)3/h8H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 63734589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).