9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C16H23N5O2 — CID 72940513

IUPAC9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCN(c3nc(N)nc4c3CCCC4)C2)OC1=O
InChIInChI=1S/C16H23N5O2/c1-20-9-16(23-15(20)22)7-4-8-21(10-16)13-11-5-2-3-6-12(11)18-14(17)19-13/h2-10H2,1H3,(H2,17,18,19)
InChIKeyFORRROUJZBIVPS-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.36
Rot. Bonds1

About 9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 72940513) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID72940513
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCN(c3nc(N)nc4c3CCCC4)C2)OC1=O
InChIInChI=1S/C16H23N5O2/c1-20-9-16(23-15(20)22)7-4-8-21(10-16)13-11-5-2-3-6-12(11)18-14(17)19-13/h2-10H2,1H3,(H2,17,18,19)
InChIKeyFORRROUJZBIVPS-UHFFFAOYSA-N
XLogP1.36
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-[3-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]propyl]piperazine-1-carboxylate
CID 135271035
N-{1-[2-(Dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-YL]piperidin-4-YL}acetamide
CID 50961015
8-(2-Amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56871374
8-[2-(Dimethylamino)-5,6,7,8-tetrahydro-4-quinazolinyl]-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
CID 56901801
7-(2-Amino-6-ethyl-5-methylpyrimidin-4-YL)-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 72873136
(4-methyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone
CID 97514926
Tert-butyl (S)-3-((5,6,7,8-tetrahydropyrido[4,3-D]pyrimidin-4-YL)amino)pyrrolidine-1-carboxylate
CID 57495324
tert-butyl 2-amino-4-(trifluoromethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 146155047
4-(2,2,6,6-Tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid
CID 155952169
4-[2-(Difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 155952561
(2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone
CID 5260749
Ethyl 4-{[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-YL)methyl]amino}piperidine-1-carboxylate
CID 50952326

Frequently Asked Questions

What is the IUPAC name of 9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 72940513) is 9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN1CC2(CCCN(c3nc(N)nc4c3CCCC4)C2)OC1=O.
What is the InChIKey of 9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is FORRROUJZBIVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-20-9-16(23-15(20)22)7-4-8-21(10-16)13-11-5-2-3-6-12(11)18-14(17)19-13/h2-10H2,1H3,(H2,17,18,19).
What are the key properties of 9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72940513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).