(2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine

C7H8N6 — CID 142125880

IUPAC(2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine
SMILESCc1nc(NN)c2cncnc2n1
InChIInChI=1S/C7H8N6/c1-4-11-6-5(2-9-3-10-6)7(12-4)13-8/h2-3H,8H2,1H3,(H,9,10,11,12,13)
InChIKeyXLKROLUVMZYMSY-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.01
Rot. Bonds1

About (2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine

(2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine (PubChem CID 142125880) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is (2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine
PubChem CID142125880
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name(2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine
SMILESCc1nc(NN)c2cncnc2n1
InChIInChI=1S/C7H8N6/c1-4-11-6-5(2-9-3-10-6)7(12-4)13-8/h2-3H,8H2,1H3,(H,9,10,11,12,13)
InChIKeyXLKROLUVMZYMSY-UHFFFAOYSA-N
XLogP0.01
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methylpyrido[2,3-d]pyrimidine
CID 58077929
(2-methylbenzo[g]quinazolin-4-yl)hydrazine
CID 106583878
4-hydrazinyl-2-methylquinazolin-6-ol
CID 106584455
N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine
CID 80930024
(6-methoxy-2-methylquinazolin-4-yl)hydrazine
CID 106584440
5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 126970379
3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen
CID 145480449
methanol;1H-pyrazolo[3,4-d]pyrimidine
CID 158521229
N-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine
CID 129151493
6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine
CID 57114569
2-methylsulfanyl-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 135441451
(2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine
CID 106584254

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine?
The IUPAC name of (2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine (CID 142125880) is (2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine is Cc1nc(NN)c2cncnc2n1.
What is the InChIKey of (2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine?
The InChIKey is XLKROLUVMZYMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c1-4-11-6-5(2-9-3-10-6)7(12-4)13-8/h2-3H,8H2,1H3,(H,9,10,11,12,13).
What are the key properties of (2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine?
(2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine has a molecular weight of 176.18 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine is sourced from PubChem (CID 142125880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).