cyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one

C12H22N4O2 — CID 145268956

IUPACcyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESNC1CCCCC1.O=c1ccnc(NCCO)[nH]1
InChIInChI=1S/C6H9N3O2.C6H13N/c10-4-3-8-6-7-2-1-5(11)9-6;7-6-4-2-1-3-5-6/h1-2,10H,3-4H2,(H2,7,8,9,11);6H,1-5,7H2
InChIKeyPOFLYSFIKMENKC-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.45
Rot. Bonds3

About cyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one

cyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one (PubChem CID 145268956) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is cyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Namecyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one
PubChem CID145268956
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Namecyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESNC1CCCCC1.O=c1ccnc(NCCO)[nH]1
InChIInChI=1S/C6H9N3O2.C6H13N/c10-4-3-8-6-7-2-1-5(11)9-6;7-6-4-2-1-3-5-6/h1-2,10H,3-4H2,(H2,7,8,9,11);6H,1-5,7H2
InChIKeyPOFLYSFIKMENKC-UHFFFAOYSA-N
XLogP0.45
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of cyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one (CID 145268956) is cyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for cyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for cyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one is NC1CCCCC1.O=c1ccnc(NCCO)[nH]1.
What is the InChIKey of cyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is POFLYSFIKMENKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.C6H13N/c10-4-3-8-6-7-2-1-5(11)9-6;7-6-4-2-1-3-5-6/h1-2,10H,3-4H2,(H2,7,8,9,11);6H,1-5,7H2.
What are the key properties of cyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
cyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 254.33 g/mol, XLogP of 0.45, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 145268956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).