2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C19H32N6O — CID 171358995

IUPAC2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCN1CCN(C2COCC2Nc2nc(N(C)C)nc3c2CCCC3)CC1
InChIInChI=1S/C19H32N6O/c1-23(2)19-21-15-7-5-4-6-14(15)18(22-19)20-16-12-26-13-17(16)25-10-8-24(3)9-11-25/h16-17H,4-13H2,1-3H3,(H,20,21,22)
InChIKeyQTCBOQIEENHIKY-UHFFFAOYSA-N
MW360.51 g/mol
LogP0.85
Rot. Bonds4

About 2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine

2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 171358995) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID171358995
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCN1CCN(C2COCC2Nc2nc(N(C)C)nc3c2CCCC3)CC1
InChIInChI=1S/C19H32N6O/c1-23(2)19-21-15-7-5-4-6-14(15)18(22-19)20-16-12-26-13-17(16)25-10-8-24(3)9-11-25/h16-17H,4-13H2,1-3H3,(H,20,21,22)
InChIKeyQTCBOQIEENHIKY-UHFFFAOYSA-N
XLogP0.85
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 171358995) is 2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine is CN1CCN(C2COCC2Nc2nc(N(C)C)nc3c2CCCC3)CC1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is QTCBOQIEENHIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-23(2)19-21-15-7-5-4-6-14(15)18(22-19)20-16-12-26-13-17(16)25-10-8-24(3)9-11-25/h16-17H,4-13H2,1-3H3,(H,20,21,22).
What are the key properties of 2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 360.51 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 171358995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).