pyrimidine;pyrimidine-4,5-diamine

C8H10N6 — CID 157174109

IUPACpyrimidine;pyrimidine-4,5-diamine
SMILESNc1cncnc1N.c1cncnc1
InChIInChI=1S/C4H6N4.C4H4N2/c5-3-1-7-2-8-4(3)6;1-2-5-4-6-3-1/h1-2H,5H2,(H2,6,7,8);1-4H
InChIKeyANURDCVBDRGEKI-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.12
Rot. Bonds

About pyrimidine;pyrimidine-4,5-diamine

pyrimidine;pyrimidine-4,5-diamine (PubChem CID 157174109) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is pyrimidine;pyrimidine-4,5-diamine.

Molecular Properties

Compound Namepyrimidine;pyrimidine-4,5-diamine
PubChem CID157174109
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Namepyrimidine;pyrimidine-4,5-diamine
SMILESNc1cncnc1N.c1cncnc1
InChIInChI=1S/C4H6N4.C4H4N2/c5-3-1-7-2-8-4(3)6;1-2-5-4-6-3-1/h1-2H,5H2,(H2,6,7,8);1-4H
InChIKeyANURDCVBDRGEKI-UHFFFAOYSA-N
XLogP0.12
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-aminopyrimidine-5-thiol
CID 91218144
4-N-pyrimidin-5-ylpyrimidine-4,5-diamine
CID 83618947
2-pyrimidin-5-ylpyrimidine-4,5-diamine
CID 175790998
pyrimidine;bis(tungsten(2+))
CID 175709201
iron;pyrimidine
CID 160776334
copper;pyrimidine
CID 140826173
(4-aminopyrimidin-5-yl)boronic acid
CID 66664909
gold;7H-purine;pyrimidine
CID 160695672
manganese;pyrimidine;sulfane
CID 174633913
pyrimidine;dihydrate;hydrochloride
CID 142797131
pyrimidine;pentahydrate;trihydrochloride
CID 139950322
(4-aminopyrimidin-5-yl)methanol;methane
CID 160757504

Frequently Asked Questions

What is the IUPAC name of pyrimidine;pyrimidine-4,5-diamine?
The IUPAC name of pyrimidine;pyrimidine-4,5-diamine (CID 157174109) is pyrimidine;pyrimidine-4,5-diamine.
What is the SMILES notation for pyrimidine;pyrimidine-4,5-diamine?
The canonical SMILES for pyrimidine;pyrimidine-4,5-diamine is Nc1cncnc1N.c1cncnc1.
What is the InChIKey of pyrimidine;pyrimidine-4,5-diamine?
The InChIKey is ANURDCVBDRGEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4.C4H4N2/c5-3-1-7-2-8-4(3)6;1-2-5-4-6-3-1/h1-2H,5H2,(H2,6,7,8);1-4H.
What are the key properties of pyrimidine;pyrimidine-4,5-diamine?
pyrimidine;pyrimidine-4,5-diamine has a molecular weight of 190.21 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine;pyrimidine-4,5-diamine is sourced from PubChem (CID 157174109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).