5-amino-4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one

C12H21N5O2 — CID 136978207

IUPAC5-amino-4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCCOC2CCC(N)CC2)nc[nH]c1=O
InChIInChI=1S/C12H21N5O2/c13-8-1-3-9(4-2-8)19-6-5-15-11-10(14)12(18)17-7-16-11/h7-9H,1-6,13-14H2,(H2,15,16,17,18)
InChIKeyQPVJZRBFGDWTNI-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.05
Rot. Bonds5

About 5-amino-4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one

5-amino-4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one (PubChem CID 136978207) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-amino-4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one
PubChem CID136978207
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name5-amino-4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCCOC2CCC(N)CC2)nc[nH]c1=O
InChIInChI=1S/C12H21N5O2/c13-8-1-3-9(4-2-8)19-6-5-15-11-10(14)12(18)17-7-16-11/h7-9H,1-6,13-14H2,(H2,15,16,17,18)
InChIKeyQPVJZRBFGDWTNI-UHFFFAOYSA-N
XLogP0.05
TPSA119.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one (CID 136978207) is 5-amino-4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one is Nc1c(NCCOC2CCC(N)CC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one?
The InChIKey is QPVJZRBFGDWTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c13-8-1-3-9(4-2-8)19-6-5-15-11-10(14)12(18)17-7-16-11/h7-9H,1-6,13-14H2,(H2,15,16,17,18).
What are the key properties of 5-amino-4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one?
5-amino-4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of 0.05, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(4-aminocyclohexyl)oxyethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136978207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).