2-cyclopropyl-6-N-methyl-6-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine

C18H25N5O — CID 155635744

IUPAC2-cyclopropyl-6-N-methyl-6-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine
SMILESCN(CCN1CCOCC1)c1ccc2nc(C3CC3)nc(N)c2c1
InChIInChI=1S/C18H25N5O/c1-22(6-7-23-8-10-24-11-9-23)14-4-5-16-15(12-14)17(19)21-18(20-16)13-2-3-13/h4-5,12-13H,2-3,6-11H2,1H3,(H2,19,20,21)
InChIKeyJCZYVCXMGJAJLH-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.86
Rot. Bonds5

About 2-cyclopropyl-6-N-methyl-6-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine

2-cyclopropyl-6-N-methyl-6-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine (PubChem CID 155635744) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-methyl-6-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-methyl-6-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine
PubChem CID155635744
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-cyclopropyl-6-N-methyl-6-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine
SMILESCN(CCN1CCOCC1)c1ccc2nc(C3CC3)nc(N)c2c1
InChIInChI=1S/C18H25N5O/c1-22(6-7-23-8-10-24-11-9-23)14-4-5-16-15(12-14)17(19)21-18(20-16)13-2-3-13/h4-5,12-13H,2-3,6-11H2,1H3,(H2,19,20,21)
InChIKeyJCZYVCXMGJAJLH-UHFFFAOYSA-N
XLogP1.86
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-methyl-6-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-methyl-6-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine (CID 155635744) is 2-cyclopropyl-6-N-methyl-6-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-methyl-6-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-methyl-6-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine is CN(CCN1CCOCC1)c1ccc2nc(C3CC3)nc(N)c2c1.
What is the InChIKey of 2-cyclopropyl-6-N-methyl-6-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine?
The InChIKey is JCZYVCXMGJAJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-22(6-7-23-8-10-24-11-9-23)14-4-5-16-15(12-14)17(19)21-18(20-16)13-2-3-13/h4-5,12-13H,2-3,6-11H2,1H3,(H2,19,20,21).
What are the key properties of 2-cyclopropyl-6-N-methyl-6-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine?
2-cyclopropyl-6-N-methyl-6-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine has a molecular weight of 327.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-methyl-6-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine is sourced from PubChem (CID 155635744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).