2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine

C12H19N5 — CID 83026950

IUPAC2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine
SMILESNc1cc(NN2CCCCC2)nc(C2CC2)n1
InChIInChI=1S/C12H19N5/c13-10-8-11(15-12(14-10)9-4-5-9)16-17-6-2-1-3-7-17/h8-9H,1-7H2,(H3,13,14,15,16)
InChIKeyPWMOZUYNGQMFCL-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.75
Rot. Bonds3

About 2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine (PubChem CID 83026950) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine
PubChem CID83026950
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine
SMILESNc1cc(NN2CCCCC2)nc(C2CC2)n1
InChIInChI=1S/C12H19N5/c13-10-8-11(15-12(14-10)9-4-5-9)16-17-6-2-1-3-7-17/h8-9H,1-7H2,(H3,13,14,15,16)
InChIKeyPWMOZUYNGQMFCL-UHFFFAOYSA-N
XLogP1.75
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine (CID 83026950) is 2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine is Nc1cc(NN2CCCCC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine?
The InChIKey is PWMOZUYNGQMFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c13-10-8-11(15-12(14-10)9-4-5-9)16-17-6-2-1-3-7-17/h8-9H,1-7H2,(H3,13,14,15,16).
What are the key properties of 2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 83026950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).