2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine

C11H16ClN3O — CID 106196919

IUPAC2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine
SMILESC=C(C)COCCNc1nc(Cl)ncc1C
InChIInChI=1S/C11H16ClN3O/c1-8(2)7-16-5-4-13-10-9(3)6-14-11(12)15-10/h6H,1,4-5,7H2,2-3H3,(H,13,14,15)
InChIKeyWGMWSQJYXNPHIV-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.44
Rot. Bonds6

About 2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine

2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine (PubChem CID 106196919) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine
PubChem CID106196919
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine
SMILESC=C(C)COCCNc1nc(Cl)ncc1C
InChIInChI=1S/C11H16ClN3O/c1-8(2)7-16-5-4-13-10-9(3)6-14-11(12)15-10/h6H,1,4-5,7H2,2-3H3,(H,13,14,15)
InChIKeyWGMWSQJYXNPHIV-UHFFFAOYSA-N
XLogP2.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine (CID 106196919) is 2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine is C=C(C)COCCNc1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine?
The InChIKey is WGMWSQJYXNPHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8(2)7-16-5-4-13-10-9(3)6-14-11(12)15-10/h6H,1,4-5,7H2,2-3H3,(H,13,14,15).
What are the key properties of 2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine?
2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine has a molecular weight of 241.72 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 2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106196919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).