5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one

C9H14N4O2 — CID 136696636

IUPAC5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
SMILESCOC1CC(Nc2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C9H14N4O2/c1-15-6-2-5(3-6)13-8-7(10)9(14)12-4-11-8/h4-6H,2-3,10H2,1H3,(H2,11,12,13,14)
InChIKeyLTPXDLAHWNIUON-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.06
Rot. Bonds3

About 5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136696636) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
PubChem CID136696636
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
SMILESCOC1CC(Nc2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C9H14N4O2/c1-15-6-2-5(3-6)13-8-7(10)9(14)12-4-11-8/h4-6H,2-3,10H2,1H3,(H2,11,12,13,14)
InChIKeyLTPXDLAHWNIUON-UHFFFAOYSA-N
XLogP-0.06
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one
CID 114586550
5-amino-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 135568311
5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696609
5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696616
5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696626
4-[(3-ethoxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136696629
4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696631
5-chloro-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696637
5-iodo-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696638
4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696640
5-bromo-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696641
5-amino-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136785540

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one (CID 136696636) is 5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one is COC1CC(Nc2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LTPXDLAHWNIUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-15-6-2-5(3-6)13-8-7(10)9(14)12-4-11-8/h4-6H,2-3,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.06, 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-methoxycyclobutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136696636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).