5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine

C11H18ClN3O — CID 80858510

IUPAC5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(OCCC(C)C)n1
InChIInChI=1S/C11H18ClN3O/c1-4-13-11-14-7-9(12)10(15-11)16-6-5-8(2)3/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyBPGVWYOOJNBNED-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.99
Rot. Bonds6

About 5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine

5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine (PubChem CID 80858510) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine
PubChem CID80858510
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(OCCC(C)C)n1
InChIInChI=1S/C11H18ClN3O/c1-4-13-11-14-7-9(12)10(15-11)16-6-5-8(2)3/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyBPGVWYOOJNBNED-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-ethyl-4-(3-methylbut-3-enoxy)pyrimidin-2-amine
CID 114471144
5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80863200
5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine
CID 80877801
3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine
CID 102760377
5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80800808
5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80874170
5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869054
5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine
CID 80870663
5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine
CID 102989311
5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine
CID 80869450
[5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine
CID 80912202
5-chloro-N-ethyl-4-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine
CID 80865115

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine (CID 80858510) is 5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine is CCNc1ncc(Cl)c(OCCC(C)C)n1.
What is the InChIKey of 5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine?
The InChIKey is BPGVWYOOJNBNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-13-11-14-7-9(12)10(15-11)16-6-5-8(2)3/h7-8H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine?
5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine has a molecular weight of 243.74 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine is sourced from PubChem (CID 80858510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).