4-chloro-2,6-dicyclopropylpyrimidin-5-amine

C10H12ClN3 — CID 88811496

IUPAC4-chloro-2,6-dicyclopropylpyrimidin-5-amine
SMILESNc1c(Cl)nc(C2CC2)nc1C1CC1
InChIInChI=1S/C10H12ClN3/c11-9-7(12)8(5-1-2-5)13-10(14-9)6-3-4-6/h5-6H,1-4,12H2
InChIKeyDHFHEWZHNZTTJA-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.47
Rot. Bonds2

About 4-chloro-2,6-dicyclopropylpyrimidin-5-amine

4-chloro-2,6-dicyclopropylpyrimidin-5-amine (PubChem CID 88811496) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 4-chloro-2,6-dicyclopropylpyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-2,6-dicyclopropylpyrimidin-5-amine
PubChem CID88811496
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name4-chloro-2,6-dicyclopropylpyrimidin-5-amine
SMILESNc1c(Cl)nc(C2CC2)nc1C1CC1
InChIInChI=1S/C10H12ClN3/c11-9-7(12)8(5-1-2-5)13-10(14-9)6-3-4-6/h5-6H,1-4,12H2
InChIKeyDHFHEWZHNZTTJA-UHFFFAOYSA-N
XLogP2.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dicyclopropylpyrimidin-5-amine?
The IUPAC name of 4-chloro-2,6-dicyclopropylpyrimidin-5-amine (CID 88811496) is 4-chloro-2,6-dicyclopropylpyrimidin-5-amine.
What is the SMILES notation for 4-chloro-2,6-dicyclopropylpyrimidin-5-amine?
The canonical SMILES for 4-chloro-2,6-dicyclopropylpyrimidin-5-amine is Nc1c(Cl)nc(C2CC2)nc1C1CC1.
What is the InChIKey of 4-chloro-2,6-dicyclopropylpyrimidin-5-amine?
The InChIKey is DHFHEWZHNZTTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c11-9-7(12)8(5-1-2-5)13-10(14-9)6-3-4-6/h5-6H,1-4,12H2.
What are the key properties of 4-chloro-2,6-dicyclopropylpyrimidin-5-amine?
4-chloro-2,6-dicyclopropylpyrimidin-5-amine has a molecular weight of 209.68 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dicyclopropylpyrimidin-5-amine is sourced from PubChem (CID 88811496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).