2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine

C9H15N5 — CID 164651947

IUPAC2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine
SMILESNc1cnc(NCCN2CCC2)nc1
InChIInChI=1S/C9H15N5/c10-8-6-12-9(13-7-8)11-2-5-14-3-1-4-14/h6-7H,1-5,10H2,(H,11,12,13)
InChIKeySNGNTQOJSFTZTM-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.18
Rot. Bonds4

About 2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine

2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine (PubChem CID 164651947) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine
PubChem CID164651947
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine
SMILESNc1cnc(NCCN2CCC2)nc1
InChIInChI=1S/C9H15N5/c10-8-6-12-9(13-7-8)11-2-5-14-3-1-4-14/h6-7H,1-5,10H2,(H,11,12,13)
InChIKeySNGNTQOJSFTZTM-UHFFFAOYSA-N
XLogP0.18
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine (CID 164651947) is 2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine is Nc1cnc(NCCN2CCC2)nc1.
What is the InChIKey of 2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine?
The InChIKey is SNGNTQOJSFTZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c10-8-6-12-9(13-7-8)11-2-5-14-3-1-4-14/h6-7H,1-5,10H2,(H,11,12,13).
What are the key properties of 2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine?
2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine has a molecular weight of 193.25 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine is sourced from PubChem (CID 164651947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).