6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine

C11H16ClN3 — CID 80971037

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NC(C)C
InChIInChI=1S/C11H16ClN3/c1-6(2)13-10-7(3)9(12)14-11(15-10)8-4-5-8/h6,8H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyQDJSCBPEKKEDTB-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.14
Rot. Bonds3

About 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 80971037) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID80971037
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NC(C)C
InChIInChI=1S/C11H16ClN3/c1-6(2)13-10-7(3)9(12)14-11(15-10)8-4-5-8/h6,8H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyQDJSCBPEKKEDTB-UHFFFAOYSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine (CID 80971037) is 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NC(C)C.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is QDJSCBPEKKEDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-6(2)13-10-7(3)9(12)14-11(15-10)8-4-5-8/h6,8H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 225.72 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80971037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).