N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

C14H21N3O — CID 103889241

IUPACN-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCC1CC(Nc2ncnc3c2CCCC3)CCO1
InChIInChI=1S/C14H21N3O/c1-10-8-11(6-7-18-10)17-14-12-4-2-3-5-13(12)15-9-16-14/h9-11H,2-8H2,1H3,(H,15,16,17)
InChIKeyISAJGNUDYBTHKP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.33
Rot. Bonds2

About N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 103889241) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID103889241
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCC1CC(Nc2ncnc3c2CCCC3)CCO1
InChIInChI=1S/C14H21N3O/c1-10-8-11(6-7-18-10)17-14-12-4-2-3-5-13(12)15-9-16-14/h9-11H,2-8H2,1H3,(H,15,16,17)
InChIKeyISAJGNUDYBTHKP-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 82729364
N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80714080
N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82727853
5,6-dimethyl-N-(2-methyloxan-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103887301
N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114695362
7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine
CID 97253924
3,6-dimethyl-N-(2-methyloxan-4-yl)pyrazin-2-amine
CID 104695678
3-fluoro-N-[(2S,4S)-2-methyloxan-4-yl]pyridin-2-amine
CID 129411560
methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate
CID 71857671
N-(2-methyloxan-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 114108359
[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 71836280
5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one
CID 64669197

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 103889241) is N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is CC1CC(Nc2ncnc3c2CCCC3)CCO1.
What is the InChIKey of N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is ISAJGNUDYBTHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-11(6-7-18-10)17-14-12-4-2-3-5-13(12)15-9-16-14/h9-11H,2-8H2,1H3,(H,15,16,17).
What are the key properties of N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 247.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 103889241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).