2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine

C14H18N4O — CID 82745198

IUPAC2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine
SMILESCNc1nc(N(C)C2CCOC2)c2ccccc2n1
InChIInChI=1S/C14H18N4O/c1-15-14-16-12-6-4-3-5-11(12)13(17-14)18(2)10-7-8-19-9-10/h3-6,10H,7-9H2,1-2H3,(H,15,16,17)
InChIKeySQVHNTQWJPFXSM-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.90
Rot. Bonds3

About 2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine

2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine (PubChem CID 82745198) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine
PubChem CID82745198
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine
SMILESCNc1nc(N(C)C2CCOC2)c2ccccc2n1
InChIInChI=1S/C14H18N4O/c1-15-14-16-12-6-4-3-5-11(12)13(17-14)18(2)10-7-8-19-9-10/h3-6,10H,7-9H2,1-2H3,(H,15,16,17)
InChIKeySQVHNTQWJPFXSM-UHFFFAOYSA-N
XLogP1.90
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine (CID 82745198) is 2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine is CNc1nc(N(C)C2CCOC2)c2ccccc2n1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine?
The InChIKey is SQVHNTQWJPFXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-14-16-12-6-4-3-5-11(12)13(17-14)18(2)10-7-8-19-9-10/h3-6,10H,7-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine?
2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine has a molecular weight of 258.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 82745198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).