N-(3-amino-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide

C13H20N4O2 — CID 135159570

IUPACN-(3-amino-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide
SMILESCC1=NC(N)C(C)=C2CC(NC(=O)C3COC3)CN12
InChIInChI=1S/C13H20N4O2/c1-7-11-3-10(16-13(18)9-5-19-6-9)4-17(11)8(2)15-12(7)14/h9-10,12H,3-6,14H2,1-2H3,(H,16,18)
InChIKeyWVGMYUAWNGIBTP-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.19
Rot. Bonds2

About N-(3-amino-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide

N-(3-amino-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide (PubChem CID 135159570) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(3-amino-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide
PubChem CID135159570
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(3-amino-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide
SMILESCC1=NC(N)C(C)=C2CC(NC(=O)C3COC3)CN12
InChIInChI=1S/C13H20N4O2/c1-7-11-3-10(16-13(18)9-5-19-6-9)4-17(11)8(2)15-12(7)14/h9-10,12H,3-6,14H2,1-2H3,(H,16,18)
InChIKeyWVGMYUAWNGIBTP-UHFFFAOYSA-N
XLogP-0.19
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3,4-tritert-butyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide
CID 130208713
N-(3,4-ditert-butyl-1-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide
CID 130218493
N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide
CID 130218348
(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol
CID 130219048
(3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide
CID 129424104
3-methyl-N-(oxetan-3-yl)cyclobutane-1-carboxamide
CID 164660348
N-[(3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]acetamide
CID 130208882
4-amino-3-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 62783524
3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119758188
(5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100665169
N-hydroxyoxetane-3-carboxamide;hydrochloride
CID 175042233
3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119758195

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide?
The IUPAC name of N-(3-amino-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide (CID 135159570) is N-(3-amino-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide.
What is the SMILES notation for N-(3-amino-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide?
The canonical SMILES for N-(3-amino-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide is CC1=NC(N)C(C)=C2CC(NC(=O)C3COC3)CN12.
What is the InChIKey of N-(3-amino-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide?
The InChIKey is WVGMYUAWNGIBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-7-11-3-10(16-13(18)9-5-19-6-9)4-17(11)8(2)15-12(7)14/h9-10,12H,3-6,14H2,1-2H3,(H,16,18).
What are the key properties of N-(3-amino-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide?
N-(3-amino-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)oxetane-3-carboxamide is sourced from PubChem (CID 135159570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).