N-(2-chloroethyl)-6-methoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine

C11H18ClN3O — CID 66326962

IUPACN-(2-chloroethyl)-6-methoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCOc1ncnc(N(CCCl)C(C)C)c1C
InChIInChI=1S/C11H18ClN3O/c1-8(2)15(6-5-12)10-9(3)11(16-4)14-7-13-10/h7-8H,5-6H2,1-4H3
InChIKeyVPASFRMDAPMKTM-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.25
Rot. Bonds5

About N-(2-chloroethyl)-6-methoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine

N-(2-chloroethyl)-6-methoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 66326962) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-6-methoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-6-methoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID66326962
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN-(2-chloroethyl)-6-methoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCOc1ncnc(N(CCCl)C(C)C)c1C
InChIInChI=1S/C11H18ClN3O/c1-8(2)15(6-5-12)10-9(3)11(16-4)14-7-13-10/h7-8H,5-6H2,1-4H3
InChIKeyVPASFRMDAPMKTM-UHFFFAOYSA-N
XLogP2.25
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.25
H-Bond Donors ≤ 50
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-chloroethyl)-6-methoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-chloroethyl)-6-methoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine (CID 66326962) is N-(2-chloroethyl)-6-methoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloroethyl)-6-methoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloroethyl)-6-methoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine is COc1ncnc(N(CCCl)C(C)C)c1C.
What is the InChIKey of N-(2-chloroethyl)-6-methoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is VPASFRMDAPMKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-8(2)15(6-5-12)10-9(3)11(16-4)14-7-13-10/h7-8H,5-6H2,1-4H3.
What are the key properties of N-(2-chloroethyl)-6-methoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine?
N-(2-chloroethyl)-6-methoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 243.74 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-6-methoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66326962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).