5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one

C11H18N4O2 — CID 114586586

IUPAC5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one
SMILESNc1c(OC2CCCCCC2N)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c12-7-4-2-1-3-5-8(7)17-11-9(13)10(16)14-6-15-11/h6-8H,1-5,12-13H2,(H,14,15,16)
InChIKeyRFXPOTRXOHSXML-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.39
Rot. Bonds2

About 5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one

5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one (PubChem CID 114586586) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one
PubChem CID114586586
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one
SMILESNc1c(OC2CCCCCC2N)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c12-7-4-2-1-3-5-8(7)17-11-9(13)10(16)14-6-15-11/h6-8H,1-5,12-13H2,(H,14,15,16)
InChIKeyRFXPOTRXOHSXML-UHFFFAOYSA-N
XLogP0.39
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminocycloheptyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 91021757
5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634382
5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 102729357
5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one
CID 103241365
5-amino-4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one
CID 113604885
4-(2-aminocycloheptyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 113604901
5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586378
5-amino-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586422
5-amino-4-(3-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 114586577
4-(2-aminocycloheptyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 114586581
4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one
CID 114586582
4-(2-aminocycloheptyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 114586585

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one (CID 114586586) is 5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one is Nc1c(OC2CCCCCC2N)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one?
The InChIKey is RFXPOTRXOHSXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-7-4-2-1-3-5-8(7)17-11-9(13)10(16)14-6-15-11/h6-8H,1-5,12-13H2,(H,14,15,16).
What are the key properties of 5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one?
5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).