(8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-2-amine

C14H24N6O — CID 164531086

IUPAC(8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-2-amine
SMILESCC(C)[C@H]1CCOc2c(nc(N)nc2N2CC[C@@H](N)C2)N1
InChIInChI=1S/C14H24N6O/c1-8(2)10-4-6-21-11-12(17-10)18-14(16)19-13(11)20-5-3-9(15)7-20/h8-10H,3-7,15H2,1-2H3,(H3,16,17,18,19)/t9-,10-/m1/s1
InChIKeyXUWNAIJUCGKWGP-NXEZZACHSA-N
MW292.39 g/mol
LogP0.82
Rot. Bonds2

About (8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-2-amine

(8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-2-amine (PubChem CID 164531086) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is (8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-2-amine.

Molecular Properties

Compound Name(8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-2-amine
PubChem CID164531086
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name(8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-2-amine
SMILESCC(C)[C@H]1CCOc2c(nc(N)nc2N2CC[C@@H](N)C2)N1
InChIInChI=1S/C14H24N6O/c1-8(2)10-4-6-21-11-12(17-10)18-14(16)19-13(11)20-5-3-9(15)7-20/h8-10H,3-7,15H2,1-2H3,(H3,16,17,18,19)/t9-,10-/m1/s1
InChIKeyXUWNAIJUCGKWGP-NXEZZACHSA-N
XLogP0.82
TPSA102.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-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
(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
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
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-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine
CID 66740107
4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine
CID 68843943
4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dihydro-[1]benzothiepino[5,4-d]pyrimidin-2-amine
CID 25071632
1-(3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 62253531
5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine
CID 117212562
(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 (8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-2-amine?
The IUPAC name of (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) is (8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-2-amine.
What is the SMILES notation for (8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-2-amine?
The canonical SMILES for (8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-2-amine is CC(C)[C@H]1CCOc2c(nc(N)nc2N2CC[C@@H](N)C2)N1.
What is the InChIKey of (8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-2-amine?
The InChIKey is XUWNAIJUCGKWGP-NXEZZACHSA-N. The full InChI is InChI=1S/C14H24N6O/c1-8(2)10-4-6-21-11-12(17-10)18-14(16)19-13(11)20-5-3-9(15)7-20/h8-10H,3-7,15H2,1-2H3,(H3,16,17,18,19)/t9-,10-/m1/s1.
What are the key properties of (8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-2-amine?
(8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-2-amine has a molecular weight of 292.39 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-4-[(3R)-3-aminopyrrolidin-1-yl]-8-propan-2-yl-6,7,8,9-tetrahydropyrimido[5,4-b][1,4]oxazepin-2-amine is sourced from PubChem (CID 164531086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).