5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one

C11H18N4O2 — CID 102634382

IUPAC5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESCNC1CCCCC1Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H18N4O2/c1-13-7-4-2-3-5-8(7)17-11-9(12)10(16)14-6-15-11/h6-8,13H,2-5,12H2,1H3,(H,14,15,16)
InChIKeyLLJXBFAWZOJNEB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.26
Rot. Bonds3

About 5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one

5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one (PubChem CID 102634382) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
PubChem CID102634382
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESCNC1CCCCC1Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H18N4O2/c1-13-7-4-2-3-5-8(7)17-11-9(12)10(16)14-6-15-11/h6-8,13H,2-5,12H2,1H3,(H,14,15,16)
InChIKeyLLJXBFAWZOJNEB-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634366
4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634633
5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634696
5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634780
5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 102729357
5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241696
5-amino-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939642
4-(4-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 113604877
5-chloro-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 113718819
5-amino-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586404
5-amino-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586422
5-amino-4-(3-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 114586577

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one (CID 102634382) is 5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one is CNC1CCCCC1Oc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
The InChIKey is LLJXBFAWZOJNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-13-7-4-2-3-5-8(7)17-11-9(12)10(16)14-6-15-11/h6-8,13H,2-5,12H2,1H3,(H,14,15,16).
What are the key properties of 5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 102634382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).