4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine

C15H20N4O — CID 80845799

IUPAC4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine
SMILESCN(CC1CCOCC1)c1nc(N)nc2ccccc12
InChIInChI=1S/C15H20N4O/c1-19(10-11-6-8-20-9-7-11)14-12-4-2-3-5-13(12)17-15(16)18-14/h2-5,11H,6-10H2,1H3,(H2,16,17,18)
InChIKeyAFQPVPNAECPGRH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.07
Rot. Bonds3

About 4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine

4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine (PubChem CID 80845799) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine
PubChem CID80845799
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine
SMILESCN(CC1CCOCC1)c1nc(N)nc2ccccc12
InChIInChI=1S/C15H20N4O/c1-19(10-11-6-8-20-9-7-11)14-12-4-2-3-5-13(12)17-15(16)18-14/h2-5,11H,6-10H2,1H3,(H2,16,17,18)
InChIKeyAFQPVPNAECPGRH-UHFFFAOYSA-N
XLogP2.07
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N,2-dimethyl-N-(oxan-4-ylmethyl)quinolin-4-amine
CID 133438764
6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327889
4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine
CID 80775432
4-(oxan-4-ylmethoxy)quinazolin-2-amine
CID 80880152
2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol
CID 80773437
N-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 146043495
1-N-methyl-2-N-[[4-[methyl(oxolan-3-ylmethyl)amino]quinazolin-2-yl]methyl]benzene-1,2-diamine
CID 123670712
4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine
CID 80796340
2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80845884
2-N,3-N-dimethyl-2-N,3-N-bis(oxan-4-ylmethyl)pyrazine-2,3-diamine
CID 75478549
4-(oxolan-3-ylmethoxy)quinazolin-2-amine
CID 80873939
3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 79873857

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine (CID 80845799) is 4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine is CN(CC1CCOCC1)c1nc(N)nc2ccccc12.
What is the InChIKey of 4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is AFQPVPNAECPGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19(10-11-6-8-20-9-7-11)14-12-4-2-3-5-13(12)17-15(16)18-14/h2-5,11H,6-10H2,1H3,(H2,16,17,18).
What are the key properties of 4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine?
4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80845799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).