N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine

C11H18ClN3 — CID 63735068

IUPACN-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCCCN(CC)c1ncnc(Cl)c1C
InChIInChI=1S/C11H18ClN3/c1-4-6-7-15(5-2)11-9(3)10(12)13-8-14-11/h8H,4-7H2,1-3H3
InChIKeyHFGPCUCUXZAUMA-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.06
Rot. Bonds5

About N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine

N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 63735068) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID63735068
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCCCN(CC)c1ncnc(Cl)c1C
InChIInChI=1S/C11H18ClN3/c1-4-6-7-15(5-2)11-9(3)10(12)13-8-14-11/h8H,4-7H2,1-3H3
InChIKeyHFGPCUCUXZAUMA-UHFFFAOYSA-N
XLogP3.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(6-chloro-5-methylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995604
4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80757752
N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine
CID 62101508
2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide
CID 103103651
6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine
CID 63729454
N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995636
4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine
CID 80754266
N-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 4060711
N-butyl-N-ethylquinazolin-4-amine
CID 110433588
N-butyl-6-chloro-N-ethyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine
CID 139821522
N'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine
CID 66325128
N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine
CID 63729764

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine (CID 63735068) is N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine is CCCCN(CC)c1ncnc(Cl)c1C.
What is the InChIKey of N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is HFGPCUCUXZAUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-4-6-7-15(5-2)11-9(3)10(12)13-8-14-11/h8H,4-7H2,1-3H3.
What are the key properties of N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine?
N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 227.74 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 63735068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).