5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one

C11H18N4O2 — CID 136696609

IUPAC5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
SMILESCOC1CC(Nc2nc[nH]c(=O)c2N)C1(C)C
InChIInChI=1S/C11H18N4O2/c1-11(2)6(4-7(11)17-3)15-9-8(12)10(16)14-5-13-9/h5-7H,4,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyZKSGTKVDPFNNRF-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.58
Rot. Bonds3

About 5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136696609) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
PubChem CID136696609
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
SMILESCOC1CC(Nc2nc[nH]c(=O)c2N)C1(C)C
InChIInChI=1S/C11H18N4O2/c1-11(2)6(4-7(11)17-3)15-9-8(12)10(16)14-5-13-9/h5-7H,4,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyZKSGTKVDPFNNRF-UHFFFAOYSA-N
XLogP0.58
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[N-(3-methoxy-2,2-dimethylcyclobutyl)-N'-methylcarbamimidoyl]amino]-N-methylacetamide
CID 120049677
2-[[[(3-methoxy-2,2-dimethylcyclobutyl)amino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 120339125
5-methoxy-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696608
4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696613
5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696616
5-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696618
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136696620
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696622
5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696626
5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696636
5-amino-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136785540
5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847973

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one (CID 136696609) is 5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one is COC1CC(Nc2nc[nH]c(=O)c2N)C1(C)C.
What is the InChIKey of 5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZKSGTKVDPFNNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2)6(4-7(11)17-3)15-9-8(12)10(16)14-5-13-9/h5-7H,4,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136696609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).