(7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride

C12H22Cl2N6O — CID 164530946

IUPAC(7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride
SMILESCC[C@@H]1COc2c(nc(N)nc2N2CC[C@@H](N)C2)N1.Cl.Cl
InChIInChI=1S/C12H20N6O.2ClH/c1-2-8-6-19-9-10(15-8)16-12(14)17-11(9)18-4-3-7(13)5-18;;/h7-8H,2-6,13H2,1H3,(H3,14,15,16,17);2*1H/t7-,8-;;/m1../s1
InChIKeyNARDDGWDJBCCCK-RHJRFJOKSA-N
MW337.26 g/mol
LogP1.02
Rot. Bonds2

About (7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride

(7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride (PubChem CID 164530946) has the molecular formula C12H22Cl2N6O and a molecular weight of 337.26 g/mol. Its IUPAC name is (7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride.

Molecular Properties

Compound Name(7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride
PubChem CID164530946
Molecular FormulaC12H22Cl2N6O
Molecular Weight337.26 g/mol
Exact Mass336.12
IUPAC Name(7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride
SMILESCC[C@@H]1COc2c(nc(N)nc2N2CC[C@@H](N)C2)N1.Cl.Cl
InChIInChI=1S/C12H20N6O.2ClH/c1-2-8-6-19-9-10(15-8)16-12(14)17-11(9)18-4-3-7(13)5-18;;/h7-8H,2-6,13H2,1H3,(H3,14,15,16,17);2*1H/t7-,8-;;/m1../s1
InChIKeyNARDDGWDJBCCCK-RHJRFJOKSA-N
XLogP1.02
TPSA102.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride 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
(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
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
(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
4-[(3S)-3-aminopyrrolidin-1-yl]-8,8-difluoro-7,9-dihydro-6H-[1]benzothiolo[3,2-d]pyrimidin-2-amine;hydrochloride
CID 68922871
3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride
CID 71643981
(3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride
CID 71639291
[4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol
CID 156545343
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine
CID 68843943
1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine
CID 102793292
1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine
CID 114697594

Frequently Asked Questions

What is the IUPAC name of (7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride?
The IUPAC name of (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) is (7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride.
What is the SMILES notation for (7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride?
The canonical SMILES for (7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride is CC[C@@H]1COc2c(nc(N)nc2N2CC[C@@H](N)C2)N1.Cl.Cl.
What is the InChIKey of (7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride?
The InChIKey is NARDDGWDJBCCCK-RHJRFJOKSA-N. The full InChI is InChI=1S/C12H20N6O.2ClH/c1-2-8-6-19-9-10(15-8)16-12(14)17-11(9)18-4-3-7(13)5-18;;/h7-8H,2-6,13H2,1H3,(H3,14,15,16,17);2*1H/t7-,8-;;/m1../s1.
What are the key properties of (7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride?
(7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride has a molecular weight of 337.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride is sourced from PubChem (CID 164530946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).