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

C10H16N4O2 — CID 102729357

IUPAC5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one
SMILESNc1c(OC2CCC(N)CC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-6-1-3-7(4-2-6)16-10-8(12)9(15)13-5-14-10/h5-7H,1-4,11-12H2,(H,13,14,15)
InChIKeyNZCBVJCJAFAFRJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.00
Rot. Bonds2

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

5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 102729357) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID102729357
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one
SMILESNc1c(OC2CCC(N)CC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-6-1-3-7(4-2-6)16-10-8(12)9(15)13-5-14-10/h5-7H,1-4,11-12H2,(H,13,14,15)
InChIKeyNZCBVJCJAFAFRJ-UHFFFAOYSA-N
XLogP0.00
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one (CID 102729357) is 5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one is Nc1c(OC2CCC(N)CC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is NZCBVJCJAFAFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-6-1-3-7(4-2-6)16-10-8(12)9(15)13-5-14-10/h5-7H,1-4,11-12H2,(H,13,14,15).
What are the key properties of 5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one?
5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 102729357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).