4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine

C11H13Cl3N6 — CID 159878349

IUPAC4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine
SMILESCC(C)c1ncnc(Cl)c1N.Nc1c(Cl)ncnc1Cl
InChIInChI=1S/C7H10ClN3.C4H3Cl2N3/c1-4(2)6-5(9)7(8)11-3-10-6;5-3-2(7)4(6)9-1-8-3/h3-4H,9H2,1-2H3;1H,7H2
InChIKeyNTEYKLKVQQAEQF-UHFFFAOYSA-N
MW335.63 g/mol
LogP3.20
Rot. Bonds1

About 4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine

4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine (PubChem CID 159878349) has the molecular formula C11H13Cl3N6 and a molecular weight of 335.63 g/mol. Its IUPAC name is 4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine
PubChem CID159878349
Molecular FormulaC11H13Cl3N6
Molecular Weight335.63 g/mol
Exact Mass334.03
IUPAC Name4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine
SMILESCC(C)c1ncnc(Cl)c1N.Nc1c(Cl)ncnc1Cl
InChIInChI=1S/C7H10ClN3.C4H3Cl2N3/c1-4(2)6-5(9)7(8)11-3-10-6;5-3-2(7)4(6)9-1-8-3/h3-4H,9H2,1-2H3;1H,7H2
InChIKeyNTEYKLKVQQAEQF-UHFFFAOYSA-N
XLogP3.20
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine?
The IUPAC name of 4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine (CID 159878349) is 4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine is CC(C)c1ncnc(Cl)c1N.Nc1c(Cl)ncnc1Cl.
What is the InChIKey of 4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine?
The InChIKey is NTEYKLKVQQAEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3.C4H3Cl2N3/c1-4(2)6-5(9)7(8)11-3-10-6;5-3-2(7)4(6)9-1-8-3/h3-4H,9H2,1-2H3;1H,7H2.
What are the key properties of 4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine?
4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine has a molecular weight of 335.63 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine is sourced from PubChem (CID 159878349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).