2-amino-1,4,5,7,8,9-hexahydropurin-6-one;hydron;chloride

C5H10ClN5O — CID 44558609

IUPAC2-amino-1,4,5,7,8,9-hexahydropurin-6-one;hydron;chloride
SMILESNC1=NC2NCNC2C(=O)N1.[Cl-].[H+]
InChIInChI=1S/C5H9N5O.ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h2-3,7-8H,1H2,(H3,6,9,10,11);1H
InChIKeyZMDKRUZEEACMTB-UHFFFAOYSA-N
MW191.62 g/mol
LogP-5.61
Rot. Bonds

About 2-amino-1,4,5,7,8,9-hexahydropurin-6-one;hydron;chloride

2-amino-1,4,5,7,8,9-hexahydropurin-6-one;hydron;chloride (PubChem CID 44558609) has the molecular formula C5H10ClN5O and a molecular weight of 191.62 g/mol. Its IUPAC name is 2-amino-1,4,5,7,8,9-hexahydropurin-6-one;hydron;chloride.

Molecular Properties

Compound Name2-amino-1,4,5,7,8,9-hexahydropurin-6-one;hydron;chloride
PubChem CID44558609
Molecular FormulaC5H10ClN5O
Molecular Weight191.62 g/mol
Exact Mass191.06
IUPAC Name2-amino-1,4,5,7,8,9-hexahydropurin-6-one;hydron;chloride
SMILESNC1=NC2NCNC2C(=O)N1.[Cl-].[H+]
InChIInChI=1S/C5H9N5O.ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h2-3,7-8H,1H2,(H3,6,9,10,11);1H
InChIKeyZMDKRUZEEACMTB-UHFFFAOYSA-N
XLogP-5.61
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-5.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4,5,7,9-tetrahydro-1H-purine-6,8-dione
CID 57309538
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5-amino-1,3a,6,7a-tetrahydrotriazolo[4,5-d]pyrimidin-7-one
CID 45083092
2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one
CID 10154117
2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one
CID 83136823
2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one
CID 83136998
4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one
CID 11004006
2-amino-6-[(2,5-dihydroxy-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)-hydroxymethyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one
CID 1026
3-tert-butyl-5,6,7,7a-tetrahydro-4aH-imidazo[4,5-d]triazin-4-one
CID 139494988
2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one
CID 82997865
4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 122691685
2-amino-4-(2-methoxy-2-methylpropyl)-1,4-dihydroimidazol-5-one
CID 106676684

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,4,5,7,8,9-hexahydropurin-6-one;hydron;chloride?
The IUPAC name of 2-amino-1,4,5,7,8,9-hexahydropurin-6-one;hydron;chloride (CID 44558609) is 2-amino-1,4,5,7,8,9-hexahydropurin-6-one;hydron;chloride.
What is the SMILES notation for 2-amino-1,4,5,7,8,9-hexahydropurin-6-one;hydron;chloride?
The canonical SMILES for 2-amino-1,4,5,7,8,9-hexahydropurin-6-one;hydron;chloride is NC1=NC2NCNC2C(=O)N1.[Cl-].[H+].
What is the InChIKey of 2-amino-1,4,5,7,8,9-hexahydropurin-6-one;hydron;chloride?
The InChIKey is ZMDKRUZEEACMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O.ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h2-3,7-8H,1H2,(H3,6,9,10,11);1H.
What are the key properties of 2-amino-1,4,5,7,8,9-hexahydropurin-6-one;hydron;chloride?
2-amino-1,4,5,7,8,9-hexahydropurin-6-one;hydron;chloride has a molecular weight of 191.62 g/mol, XLogP of -5.61, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,4,5,7,8,9-hexahydropurin-6-one;hydron;chloride is sourced from PubChem (CID 44558609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).