3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one

C14H21N5O2 — CID 91766271

IUPAC3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one
SMILESNC1CC(c2cc(NCCN3CCCOC3=O)ncn2)C1
InChIInChI=1S/C14H21N5O2/c15-11-6-10(7-11)12-8-13(18-9-17-12)16-2-4-19-3-1-5-21-14(19)20/h8-11H,1-7,15H2,(H,16,17,18)
InChIKeyFAWPGBTWIDNEPQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.94
Rot. Bonds5

About 3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one

3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one (PubChem CID 91766271) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one
PubChem CID91766271
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one
SMILESNC1CC(c2cc(NCCN3CCCOC3=O)ncn2)C1
InChIInChI=1S/C14H21N5O2/c15-11-6-10(7-11)12-8-13(18-9-17-12)16-2-4-19-3-1-5-21-14(19)20/h8-11H,1-7,15H2,(H,16,17,18)
InChIKeyFAWPGBTWIDNEPQ-UHFFFAOYSA-N
XLogP0.94
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one;dihydrochloride
CID 154902261
3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one
CID 91769331
6-(3-aminocyclobutyl)-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 91796687
6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride
CID 154902639
1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride
CID 154902473
5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride
CID 154903330
5-[3-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]propyl]-1,3,4-thiadiazol-2-amine
CID 91767496
6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride
CID 154902483
6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine
CID 91796010
6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
CID 91794404
6-(3-aminocyclobutyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 91792566
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
CID 51907450

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one (CID 91766271) is 3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one is NC1CC(c2cc(NCCN3CCCOC3=O)ncn2)C1.
What is the InChIKey of 3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one?
The InChIKey is FAWPGBTWIDNEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c15-11-6-10(7-11)12-8-13(18-9-17-12)16-2-4-19-3-1-5-21-14(19)20/h8-11H,1-7,15H2,(H,16,17,18).
What are the key properties of 3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one?
3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one has a molecular weight of 291.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 91766271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).