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

C13H21N5O2 — CID 164530993

IUPAC(3R)-1-[(7S)-7-[(1R)-1-methoxyethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl]pyrrolidin-3-amine
SMILESCO[C@H](C)[C@@H]1COc2c(ncnc2N2CC[C@@H](N)C2)N1
InChIInChI=1S/C13H21N5O2/c1-8(19-2)10-6-20-11-12(17-10)15-7-16-13(11)18-4-3-9(14)5-18/h7-10H,3-6,14H2,1-2H3,(H,15,16,17)/t8-,9-,10+/m1/s1
InChIKeySKUXOJNKEPAMSC-BBBLOLIVSA-N
MW279.34 g/mol
LogP0.22
Rot. Bonds3

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

(3R)-1-[(7S)-7-[(1R)-1-methoxyethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl]pyrrolidin-3-amine (PubChem CID 164530993) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3R)-1-[(7S)-7-[(1R)-1-methoxyethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(7S)-7-[(1R)-1-methoxyethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl]pyrrolidin-3-amine
PubChem CID164530993
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name(3R)-1-[(7S)-7-[(1R)-1-methoxyethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl]pyrrolidin-3-amine
SMILESCO[C@H](C)[C@@H]1COc2c(ncnc2N2CC[C@@H](N)C2)N1
InChIInChI=1S/C13H21N5O2/c1-8(19-2)10-6-20-11-12(17-10)15-7-16-13(11)18-4-3-9(14)5-18/h7-10H,3-6,14H2,1-2H3,(H,15,16,17)/t8-,9-,10+/m1/s1
InChIKeySKUXOJNKEPAMSC-BBBLOLIVSA-N
XLogP0.22
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
(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
1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 75114982
(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
(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
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 62067433
1-(5-methoxy-6-methylpyrimidin-4-yl)piperidin-4-amine
CID 83838867
(3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride
CID 71639291
6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide
CID 123430180
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
(3R)-1-furo[3,2-c]pyridin-4-ylpyrrolidin-3-amine
CID 129414537
1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114683932

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(7S)-7-[(1R)-1-methoxyethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl]pyrrolidin-3-amine?
The IUPAC name of (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) is (3R)-1-[(7S)-7-[(1R)-1-methoxyethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(7S)-7-[(1R)-1-methoxyethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(7S)-7-[(1R)-1-methoxyethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl]pyrrolidin-3-amine is CO[C@H](C)[C@@H]1COc2c(ncnc2N2CC[C@@H](N)C2)N1.
What is the InChIKey of (3R)-1-[(7S)-7-[(1R)-1-methoxyethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl]pyrrolidin-3-amine?
The InChIKey is SKUXOJNKEPAMSC-BBBLOLIVSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-8(19-2)10-6-20-11-12(17-10)15-7-16-13(11)18-4-3-9(14)5-18/h7-10H,3-6,14H2,1-2H3,(H,15,16,17)/t8-,9-,10+/m1/s1.
What are the key properties of (3R)-1-[(7S)-7-[(1R)-1-methoxyethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl]pyrrolidin-3-amine?
(3R)-1-[(7S)-7-[(1R)-1-methoxyethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl]pyrrolidin-3-amine has a molecular weight of 279.34 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(7S)-7-[(1R)-1-methoxyethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 164530993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).