4-chloro-6-ethyl-1H-pyrimidin-4-amine

C6H10ClN3 — CID 140979149

IUPAC4-chloro-6-ethyl-1H-pyrimidin-4-amine
SMILESCCC1=CC(N)(Cl)N=CN1
InChIInChI=1S/C6H10ClN3/c1-2-5-3-6(7,8)10-4-9-5/h3-4H,2,8H2,1H3,(H,9,10)
InChIKeyIVJGDKBKVWBIEZ-UHFFFAOYSA-N
MW159.62 g/mol
LogP0.76
Rot. Bonds1

About 4-chloro-6-ethyl-1H-pyrimidin-4-amine

4-chloro-6-ethyl-1H-pyrimidin-4-amine (PubChem CID 140979149) has the molecular formula C6H10ClN3 and a molecular weight of 159.62 g/mol. Its IUPAC name is 4-chloro-6-ethyl-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name4-chloro-6-ethyl-1H-pyrimidin-4-amine
PubChem CID140979149
Molecular FormulaC6H10ClN3
Molecular Weight159.62 g/mol
Exact Mass159.06
IUPAC Name4-chloro-6-ethyl-1H-pyrimidin-4-amine
SMILESCCC1=CC(N)(Cl)N=CN1
InChIInChI=1S/C6H10ClN3/c1-2-5-3-6(7,8)10-4-9-5/h3-4H,2,8H2,1H3,(H,9,10)
InChIKeyIVJGDKBKVWBIEZ-UHFFFAOYSA-N
XLogP0.76
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-1H-pyrimidin-4-amine?
The IUPAC name of 4-chloro-6-ethyl-1H-pyrimidin-4-amine (CID 140979149) is 4-chloro-6-ethyl-1H-pyrimidin-4-amine.
What is the SMILES notation for 4-chloro-6-ethyl-1H-pyrimidin-4-amine?
The canonical SMILES for 4-chloro-6-ethyl-1H-pyrimidin-4-amine is CCC1=CC(N)(Cl)N=CN1.
What is the InChIKey of 4-chloro-6-ethyl-1H-pyrimidin-4-amine?
The InChIKey is IVJGDKBKVWBIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3/c1-2-5-3-6(7,8)10-4-9-5/h3-4H,2,8H2,1H3,(H,9,10).
What are the key properties of 4-chloro-6-ethyl-1H-pyrimidin-4-amine?
4-chloro-6-ethyl-1H-pyrimidin-4-amine has a molecular weight of 159.62 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-1H-pyrimidin-4-amine is sourced from PubChem (CID 140979149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).