4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine

C11H18ClN3 — CID 62088695

IUPAC4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
SMILESCCN(C)c1cnc(C(C)C)nc1CCl
InChIInChI=1S/C11H18ClN3/c1-5-15(4)10-7-13-11(8(2)3)14-9(10)6-12/h7-8H,5-6H2,1-4H3
InChIKeyKMKWLVXQZVVBKQ-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.79
Rot. Bonds4

About 4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine

4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine (PubChem CID 62088695) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
PubChem CID62088695
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
SMILESCCN(C)c1cnc(C(C)C)nc1CCl
InChIInChI=1S/C11H18ClN3/c1-5-15(4)10-7-13-11(8(2)3)14-9(10)6-12/h7-8H,5-6H2,1-4H3
InChIKeyKMKWLVXQZVVBKQ-UHFFFAOYSA-N
XLogP2.79
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine
CID 62086546
N-butan-2-yl-4-(chloromethyl)-N-ethyl-2-propan-2-ylpyrimidin-5-amine
CID 55032896
4-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine
CID 112663645
4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62087436
4-(chloromethyl)-N-ethyl-N-phenyl-2-propan-2-ylpyrimidin-5-amine
CID 62087802
4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine
CID 62087271
4-(chloromethyl)-N-methyl-N-(oxan-4-yl)-2-propan-2-ylpyrimidin-5-amine
CID 55032990
4-(chloromethyl)-N-ethyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine
CID 63445678
4-(chloromethyl)-N-methyl-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-5-amine
CID 63446591
4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)-2-propan-2-ylpyrimidin-5-amine
CID 63446305
4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine
CID 82749492
4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine
CID 62299633

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine (CID 62088695) is 4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine is CCN(C)c1cnc(C(C)C)nc1CCl.
What is the InChIKey of 4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is KMKWLVXQZVVBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-5-15(4)10-7-13-11(8(2)3)14-9(10)6-12/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine?
4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 227.74 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 62088695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).