6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine

C11H18ClN3O — CID 80954148

IUPAC6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCOCCNc1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C11H18ClN3O/c1-4-16-6-5-13-10-7-9(12)14-11(15-10)8(2)3/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyAJZJZSREKROAOE-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.70
Rot. Bonds6

About 6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80954148) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80954148
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCOCCNc1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C11H18ClN3O/c1-4-16-6-5-13-10-7-9(12)14-11(15-10)8(2)3/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyAJZJZSREKROAOE-UHFFFAOYSA-N
XLogP2.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942
6-chloro-2-propan-2-yl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137332
6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80953961
N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine
CID 82453767
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106137297
N-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953327
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725
N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 63767232
N-(2-bromoprop-2-enyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 106195614
6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953834
2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine
CID 166385603
6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine (CID 80954148) is 6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine is CCOCCNc1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is AJZJZSREKROAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-16-6-5-13-10-7-9(12)14-11(15-10)8(2)3/h7-8H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 243.74 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80954148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).