2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine

C16H18N4O — CID 80776365

IUPAC2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine
SMILESCNc1nc(N(C)Cc2ccc(C)o2)c2ccccc2n1
InChIInChI=1S/C16H18N4O/c1-11-8-9-12(21-11)10-20(3)15-13-6-4-5-7-14(13)18-16(17-2)19-15/h4-9H,10H2,1-3H3,(H,17,18,19)
InChIKeyVSJDFHAQDFZCJW-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.21
Rot. Bonds4

About 2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine

2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine (PubChem CID 80776365) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine
PubChem CID80776365
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine
SMILESCNc1nc(N(C)Cc2ccc(C)o2)c2ccccc2n1
InChIInChI=1S/C16H18N4O/c1-11-8-9-12(21-11)10-20(3)15-13-6-4-5-7-14(13)18-16(17-2)19-15/h4-9H,10H2,1-3H3,(H,17,18,19)
InChIKeyVSJDFHAQDFZCJW-UHFFFAOYSA-N
XLogP3.21
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine
CID 80776135
2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80798383
N-benzyl-2-hydrazinyl-N-methylquinazolin-4-amine
CID 80909730
2-N,4-N-dimethyl-4-N-pentan-3-ylquinazoline-2,4-diamine
CID 80792804
2-N,4-N-dimethyl-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 80796036
2-N-methyl-4-N,4-N-dipropylquinazoline-2,4-diamine
CID 80764587
2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine
CID 80781469
5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine
CID 80781899
N-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 53090540
2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine
CID 82745198
2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
CID 3235248
2-[[2-(methylamino)quinazolin-4-yl]-propylamino]ethanol
CID 80795390

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine (CID 80776365) is 2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine is CNc1nc(N(C)Cc2ccc(C)o2)c2ccccc2n1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine?
The InChIKey is VSJDFHAQDFZCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-8-9-12(21-11)10-20(3)15-13-6-4-5-7-14(13)18-16(17-2)19-15/h4-9H,10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine?
2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine has a molecular weight of 282.35 g/mol, XLogP of 3.21, 4 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-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 80776365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).