4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one

C12H20N4O — CID 137225383

IUPAC4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one
SMILESC[C@@H](NCCc1nc(N)cc(=O)[nH]1)C1CCC1
InChIInChI=1S/C12H20N4O/c1-8(9-3-2-4-9)14-6-5-11-15-10(13)7-12(17)16-11/h7-9,14H,2-6H2,1H3,(H3,13,15,16,17)/t8-/m1/s1
InChIKeyZZSMJVLKGIUYOE-MRVPVSSYSA-N
MW236.32 g/mol
LogP0.67
Rot. Bonds5

About 4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one

4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one (PubChem CID 137225383) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one
PubChem CID137225383
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one
SMILESC[C@@H](NCCc1nc(N)cc(=O)[nH]1)C1CCC1
InChIInChI=1S/C12H20N4O/c1-8(9-3-2-4-9)14-6-5-11-15-10(13)7-12(17)16-11/h7-9,14H,2-6H2,1H3,(H3,13,15,16,17)/t8-/m1/s1
InChIKeyZZSMJVLKGIUYOE-MRVPVSSYSA-N
XLogP0.67
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one (CID 137225383) is 4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one is C[C@@H](NCCc1nc(N)cc(=O)[nH]1)C1CCC1.
What is the InChIKey of 4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one?
The InChIKey is ZZSMJVLKGIUYOE-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(9-3-2-4-9)14-6-5-11-15-10(13)7-12(17)16-11/h7-9,14H,2-6H2,1H3,(H3,13,15,16,17)/t8-/m1/s1.
What are the key properties of 4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one?
4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137225383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).