6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine

C12H17ClN4 — CID 82994870

IUPAC6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine
SMILESClc1cc(NN2CCCCC2)nc(C2CC2)n1
InChIInChI=1S/C12H17ClN4/c13-10-8-11(15-12(14-10)9-4-5-9)16-17-6-2-1-3-7-17/h8-9H,1-7H2,(H,14,15,16)
InChIKeyCQBWXNZCJHAWGD-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.82
Rot. Bonds3

About 6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine

6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine (PubChem CID 82994870) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine
PubChem CID82994870
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine
SMILESClc1cc(NN2CCCCC2)nc(C2CC2)n1
InChIInChI=1S/C12H17ClN4/c13-10-8-11(15-12(14-10)9-4-5-9)16-17-6-2-1-3-7-17/h8-9H,1-7H2,(H,14,15,16)
InChIKeyCQBWXNZCJHAWGD-UHFFFAOYSA-N
XLogP2.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine (CID 82994870) is 6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine is Clc1cc(NN2CCCCC2)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is CQBWXNZCJHAWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c13-10-8-11(15-12(14-10)9-4-5-9)16-17-6-2-1-3-7-17/h8-9H,1-7H2,(H,14,15,16).
What are the key properties of 6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 252.75 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 82994870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).