5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine

C9H14N4 — CID 105437702

IUPAC5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine
SMILESNc1ncncc1CCC1(N)CC1
InChIInChI=1S/C9H14N4/c10-8-7(5-12-6-13-8)1-2-9(11)3-4-9/h5-6H,1-4,11H2,(H2,10,12,13)
InChIKeyZNZZIJXTMSYNNH-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.48
Rot. Bonds3

About 5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine

5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine (PubChem CID 105437702) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine
PubChem CID105437702
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine
SMILESNc1ncncc1CCC1(N)CC1
InChIInChI=1S/C9H14N4/c10-8-7(5-12-6-13-8)1-2-9(11)3-4-9/h5-6H,1-4,11H2,(H2,10,12,13)
InChIKeyZNZZIJXTMSYNNH-UHFFFAOYSA-N
XLogP0.48
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine (CID 105437702) is 5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine is Nc1ncncc1CCC1(N)CC1.
What is the InChIKey of 5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine?
The InChIKey is ZNZZIJXTMSYNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-8-7(5-12-6-13-8)1-2-9(11)3-4-9/h5-6H,1-4,11H2,(H2,10,12,13).
What are the key properties of 5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine?
5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine has a molecular weight of 178.24 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 105437702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).