2-pyrimidin-5-ylpyrimidine-4,5-diamine

C8H8N6 — CID 175790998

IUPAC2-pyrimidin-5-ylpyrimidine-4,5-diamine
SMILESNc1cnc(-c2cncnc2)nc1N
InChIInChI=1S/C8H8N6/c9-6-3-13-8(14-7(6)10)5-1-11-4-12-2-5/h1-4H,9H2,(H2,10,13,14)
InChIKeyICMJLQSTXOGIQY-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.10
Rot. Bonds1

About 2-pyrimidin-5-ylpyrimidine-4,5-diamine

2-pyrimidin-5-ylpyrimidine-4,5-diamine (PubChem CID 175790998) has the molecular formula C8H8N6 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-pyrimidin-5-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-pyrimidin-5-ylpyrimidine-4,5-diamine
PubChem CID175790998
Molecular FormulaC8H8N6
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name2-pyrimidin-5-ylpyrimidine-4,5-diamine
SMILESNc1cnc(-c2cncnc2)nc1N
InChIInChI=1S/C8H8N6/c9-6-3-13-8(14-7(6)10)5-1-11-4-12-2-5/h1-4H,9H2,(H2,10,13,14)
InChIKeyICMJLQSTXOGIQY-UHFFFAOYSA-N
XLogP0.10
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-ylpyrimidine-4,5-diamine?
The IUPAC name of 2-pyrimidin-5-ylpyrimidine-4,5-diamine (CID 175790998) is 2-pyrimidin-5-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-pyrimidin-5-ylpyrimidine-4,5-diamine?
The canonical SMILES for 2-pyrimidin-5-ylpyrimidine-4,5-diamine is Nc1cnc(-c2cncnc2)nc1N.
What is the InChIKey of 2-pyrimidin-5-ylpyrimidine-4,5-diamine?
The InChIKey is ICMJLQSTXOGIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6/c9-6-3-13-8(14-7(6)10)5-1-11-4-12-2-5/h1-4H,9H2,(H2,10,13,14).
What are the key properties of 2-pyrimidin-5-ylpyrimidine-4,5-diamine?
2-pyrimidin-5-ylpyrimidine-4,5-diamine has a molecular weight of 188.19 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 175790998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).