2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine

C10H15N5 — CID 11287200

IUPAC2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine
SMILESCc1nc(N=C(N)N)nc2c1CCCC2
InChIInChI=1S/C10H15N5/c1-6-7-4-2-3-5-8(7)14-10(13-6)15-9(11)12/h2-5H2,1H3,(H4,11,12,13,14,15)
InChIKeyATKAGXXVMZWYGM-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.57
Rot. Bonds1

About 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine

2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine (PubChem CID 11287200) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine.

Molecular Properties

Compound Name2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine
PubChem CID11287200
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine
SMILESCc1nc(N=C(N)N)nc2c1CCCC2
InChIInChI=1S/C10H15N5/c1-6-7-4-2-3-5-8(7)14-10(13-6)15-9(11)12/h2-5H2,1H3,(H4,11,12,13,14,15)
InChIKeyATKAGXXVMZWYGM-UHFFFAOYSA-N
XLogP0.57
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine?
The IUPAC name of 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine (CID 11287200) is 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine.
What is the SMILES notation for 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine?
The canonical SMILES for 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine is Cc1nc(N=C(N)N)nc2c1CCCC2.
What is the InChIKey of 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine?
The InChIKey is ATKAGXXVMZWYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-6-7-4-2-3-5-8(7)14-10(13-6)15-9(11)12/h2-5H2,1H3,(H4,11,12,13,14,15).
What are the key properties of 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine?
2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine has a molecular weight of 205.26 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine is sourced from PubChem (CID 11287200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).