N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine

C11H16ClN3O — CID 66326139

IUPACN-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine
SMILESCOc1ncnc(NCC(Cl)C2CC2)c1C
InChIInChI=1S/C11H16ClN3O/c1-7-10(14-6-15-11(7)16-2)13-5-9(12)8-3-4-8/h6,8-9H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyMILNXFJALBCHCK-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.22
Rot. Bonds5

About N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine

N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine (PubChem CID 66326139) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine
PubChem CID66326139
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine
SMILESCOc1ncnc(NCC(Cl)C2CC2)c1C
InChIInChI=1S/C11H16ClN3O/c1-7-10(14-6-15-11(7)16-2)13-5-9(12)8-3-4-8/h6,8-9H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyMILNXFJALBCHCK-UHFFFAOYSA-N
XLogP2.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine (CID 66326139) is N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine is COc1ncnc(NCC(Cl)C2CC2)c1C.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine?
The InChIKey is MILNXFJALBCHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-10(14-6-15-11(7)16-2)13-5-9(12)8-3-4-8/h6,8-9H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine?
N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine has a molecular weight of 241.72 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66326139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).