7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine

C13H22N6O2 — CID 164530997

IUPAC7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCNC1CN(c2nc(N)nc3c2OCC([C@@H](C)OC)N3)C1
InChIInChI=1S/C13H22N6O2/c1-7(20-3)9-6-21-10-11(16-9)17-13(14)18-12(10)19-4-8(5-19)15-2/h7-9,15H,4-6H2,1-3H3,(H3,14,16,17,18)/t7-,9?/m1/s1
InChIKeyCZDGYYOXKNZCAL-YOXFSPIKSA-N
MW294.36 g/mol
LogP-0.33
Rot. Bonds4

About 7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine

7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 164530997) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound Name7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID164530997
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCNC1CN(c2nc(N)nc3c2OCC([C@@H](C)OC)N3)C1
InChIInChI=1S/C13H22N6O2/c1-7(20-3)9-6-21-10-11(16-9)17-13(14)18-12(10)19-4-8(5-19)15-2/h7-9,15H,4-6H2,1-3H3,(H3,14,16,17,18)/t7-,9?/m1/s1
InChIKeyCZDGYYOXKNZCAL-YOXFSPIKSA-N
XLogP-0.33
TPSA97.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine with MolForge

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Related Compounds

(7R)-4-(3-aminoazetidin-1-yl)-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine
CID 164530958
(8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-2-amine
CID 164531086
(3R)-1-[(7S)-7-[(1R)-1-methoxyethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl]pyrrolidin-3-amine
CID 164530993
(7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride
CID 164530946
5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride
CID 66741052
(6aR,10aR)-4-[3-(methylamino)azetidin-1-yl]-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazolin-2-amine
CID 66741299
6-[1-(methoxymethyl)cyclopropyl]-4-[3-(methylamino)azetidin-1-yl]furo[3,2-d]pyrimidin-2-amine
CID 150583905
8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24738896
tert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate
CID 164531046
5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 67157443
5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;dihydrate
CID 129073743
8,8-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 25195513

Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of 7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine (CID 164530997) is 7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for 7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for 7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine is CNC1CN(c2nc(N)nc3c2OCC([C@@H](C)OC)N3)C1.
What is the InChIKey of 7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is CZDGYYOXKNZCAL-YOXFSPIKSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-7(20-3)9-6-21-10-11(16-9)17-13(14)18-12(10)19-4-8(5-19)15-2/h7-9,15H,4-6H2,1-3H3,(H3,14,16,17,18)/t7-,9?/m1/s1.
What are the key properties of 7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine?
7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 294.36 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 164530997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).