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

C12H20N6O — CID 164530958

IUPAC(7R)-4-(3-aminoazetidin-1-yl)-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCC(C)[C@@H]1COc2c(nc(N)nc2N2CC(N)C2)N1
InChIInChI=1S/C12H20N6O/c1-6(2)8-5-19-9-10(15-8)16-12(14)17-11(9)18-3-7(13)4-18/h6-8H,3-5,13H2,1-2H3,(H3,14,15,16,17)/t8-/m0/s1
InChIKeyMLVMWNSMVNWIEG-QMMMGPOBSA-N
MW264.33 g/mol
LogP0.04
Rot. Bonds2

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

(7R)-4-(3-aminoazetidin-1-yl)-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 164530958) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is (7R)-4-(3-aminoazetidin-1-yl)-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound Name(7R)-4-(3-aminoazetidin-1-yl)-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID164530958
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name(7R)-4-(3-aminoazetidin-1-yl)-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCC(C)[C@@H]1COc2c(nc(N)nc2N2CC(N)C2)N1
InChIInChI=1S/C12H20N6O/c1-6(2)8-5-19-9-10(15-8)16-12(14)17-11(9)18-3-7(13)4-18/h6-8H,3-5,13H2,1-2H3,(H3,14,15,16,17)/t8-/m0/s1
InChIKeyMLVMWNSMVNWIEG-QMMMGPOBSA-N
XLogP0.04
TPSA102.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

(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
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
(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
(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
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
4-propan-2-yl-1,3-oxazolidine-2-thione
CID 3468453
ethane;4-propan-2-yl-1,3-oxazolidin-2-one
CID 143133628
trimethyl-[(5E)-5-(4-propan-2-yl-1,3-oxazolidin-2-ylidene)cyclopenta-1,3-dien-1-yl]silane
CID 135039296
6-amino-8-[3-(1-aminoethyl)pyrrolidin-1-yl]-12-methyl-10-oxa-1,3,7-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2,4-dione
CID 59074334
2-cyclopenta-2,4-dien-1-ylidene-4-propan-2-yl-1,3-oxazolidine
CID 15368063
4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine
CID 24996858
(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 122456413

Frequently Asked Questions

What is the IUPAC name of (7R)-4-(3-aminoazetidin-1-yl)-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of (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) is (7R)-4-(3-aminoazetidin-1-yl)-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for (7R)-4-(3-aminoazetidin-1-yl)-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for (7R)-4-(3-aminoazetidin-1-yl)-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine is CC(C)[C@@H]1COc2c(nc(N)nc2N2CC(N)C2)N1.
What is the InChIKey of (7R)-4-(3-aminoazetidin-1-yl)-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is MLVMWNSMVNWIEG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H20N6O/c1-6(2)8-5-19-9-10(15-8)16-12(14)17-11(9)18-3-7(13)4-18/h6-8H,3-5,13H2,1-2H3,(H3,14,15,16,17)/t8-/m0/s1.
What are the key properties of (7R)-4-(3-aminoazetidin-1-yl)-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine?
(7R)-4-(3-aminoazetidin-1-yl)-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4-(3-aminoazetidin-1-yl)-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 164530958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).