6-chloropyrimidine-4,5-di(15N)amine

C4H5ClN4 — CID 11040831

IUPAC6-chloropyrimidine-4,5-di(15N)amine
SMILESNc1c([15NH2])ncnc1Cl
InChIInChI=1S/C4H5ClN4/c5-3-2(6)4(7)9-1-8-3/h1H,6H2,(H2,7,8,9)/i7+1
InChIKeyVNSFICAUILKARD-CDYZYAPPSA-N
MW145.56 g/mol
LogP0.29
Rot. Bonds

About 6-chloropyrimidine-4,5-di(15N)amine

6-chloropyrimidine-4,5-di(15N)amine (PubChem CID 11040831) has the molecular formula C4H5ClN4 and a molecular weight of 145.56 g/mol. Its IUPAC name is 6-chloropyrimidine-4,5-di(15N)amine.

Molecular Properties

Compound Name6-chloropyrimidine-4,5-di(15N)amine
PubChem CID11040831
Molecular FormulaC4H5ClN4
Molecular Weight145.56 g/mol
Exact Mass145.02
IUPAC Name6-chloropyrimidine-4,5-di(15N)amine
SMILESNc1c([15NH2])ncnc1Cl
InChIInChI=1S/C4H5ClN4/c5-3-2(6)4(7)9-1-8-3/h1H,6H2,(H2,7,8,9)/i7+1
InChIKeyVNSFICAUILKARD-CDYZYAPPSA-N
XLogP0.29
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.56
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloropyrimidine-4,5-di(15N)amine?
The IUPAC name of 6-chloropyrimidine-4,5-di(15N)amine (CID 11040831) is 6-chloropyrimidine-4,5-di(15N)amine.
What is the SMILES notation for 6-chloropyrimidine-4,5-di(15N)amine?
The canonical SMILES for 6-chloropyrimidine-4,5-di(15N)amine is Nc1c([15NH2])ncnc1Cl.
What is the InChIKey of 6-chloropyrimidine-4,5-di(15N)amine?
The InChIKey is VNSFICAUILKARD-CDYZYAPPSA-N. The full InChI is InChI=1S/C4H5ClN4/c5-3-2(6)4(7)9-1-8-3/h1H,6H2,(H2,7,8,9)/i7+1.
What are the key properties of 6-chloropyrimidine-4,5-di(15N)amine?
6-chloropyrimidine-4,5-di(15N)amine has a molecular weight of 145.56 g/mol, XLogP of 0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyrimidine-4,5-di(15N)amine is sourced from PubChem (CID 11040831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).