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

C9H14ClN3 — CID 130484711

IUPAC5-(chloromethyl)-N-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)N(C)c1ncncc1CCl
InChIInChI=1S/C9H14ClN3/c1-7(2)13(3)9-8(4-10)5-11-6-12-9/h5-7H,4H2,1-3H3
InChIKeyQSSRVHCRTBJTMT-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.06
Rot. Bonds3

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

5-(chloromethyl)-N-methyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 130484711) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is 5-(chloromethyl)-N-methyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-methyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID130484711
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC Name5-(chloromethyl)-N-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)N(C)c1ncncc1CCl
InChIInChI=1S/C9H14ClN3/c1-7(2)13(3)9-8(4-10)5-11-6-12-9/h5-7H,4H2,1-3H3
InChIKeyQSSRVHCRTBJTMT-UHFFFAOYSA-N
XLogP2.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-(chloromethyl)-N-methyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-(chloromethyl)-N-methyl-N-propan-2-ylpyrimidin-4-amine (CID 130484711) is 5-(chloromethyl)-N-methyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-(chloromethyl)-N-methyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-(chloromethyl)-N-methyl-N-propan-2-ylpyrimidin-4-amine is CC(C)N(C)c1ncncc1CCl.
What is the InChIKey of 5-(chloromethyl)-N-methyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is QSSRVHCRTBJTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-7(2)13(3)9-8(4-10)5-11-6-12-9/h5-7H,4H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N-methyl-N-propan-2-ylpyrimidin-4-amine?
5-(chloromethyl)-N-methyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 199.68 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-methyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 130484711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).