N-cyclopropyl-2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine

C12H17N3O — CID 90379265

IUPACN-cyclopropyl-2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine
SMILESCOc1ncc2c(n1)CCC(NC1CC1)C2
InChIInChI=1S/C12H17N3O/c1-16-12-13-7-8-6-10(14-9-2-3-9)4-5-11(8)15-12/h7,9-10,14H,2-6H2,1H3
InChIKeyRYGFYQPHSRHQRP-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.09
Rot. Bonds3

About N-cyclopropyl-2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine

N-cyclopropyl-2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine (PubChem CID 90379265) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-cyclopropyl-2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine
PubChem CID90379265
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-cyclopropyl-2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine
SMILESCOc1ncc2c(n1)CCC(NC1CC1)C2
InChIInChI=1S/C12H17N3O/c1-16-12-13-7-8-6-10(14-9-2-3-9)4-5-11(8)15-12/h7,9-10,14H,2-6H2,1H3
InChIKeyRYGFYQPHSRHQRP-UHFFFAOYSA-N
XLogP1.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine?
The IUPAC name of N-cyclopropyl-2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine (CID 90379265) is N-cyclopropyl-2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine.
What is the SMILES notation for N-cyclopropyl-2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine?
The canonical SMILES for N-cyclopropyl-2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine is COc1ncc2c(n1)CCC(NC1CC1)C2.
What is the InChIKey of N-cyclopropyl-2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine?
The InChIKey is RYGFYQPHSRHQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-16-12-13-7-8-6-10(14-9-2-3-9)4-5-11(8)15-12/h7,9-10,14H,2-6H2,1H3.
What are the key properties of N-cyclopropyl-2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine?
N-cyclopropyl-2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine has a molecular weight of 219.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine is sourced from PubChem (CID 90379265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).