4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine

C12H23N5O — CID 15556993

IUPAC4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine
SMILES[H]/N=c1\nc(N(CCCC)CCCC)cc(N)n1O
InChIInChI=1S/C12H23N5O/c1-3-5-7-16(8-6-4-2)11-9-10(13)17(18)12(14)15-11/h9,14,18H,3-8,13H2,1-2H3/b14-12+
InChIKeyXRHMJBULRVQONL-WYMLVPIESA-N
MW253.35 g/mol
LogP1.59
Rot. Bonds7

About 4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine

4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine (PubChem CID 15556993) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine
PubChem CID15556993
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine
SMILES[H]/N=c1\nc(N(CCCC)CCCC)cc(N)n1O
InChIInChI=1S/C12H23N5O/c1-3-5-7-16(8-6-4-2)11-9-10(13)17(18)12(14)15-11/h9,14,18H,3-8,13H2,1-2H3/b14-12+
InChIKeyXRHMJBULRVQONL-WYMLVPIESA-N
XLogP1.59
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine (CID 15556993) is 4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine is [H]/N=c1\nc(N(CCCC)CCCC)cc(N)n1O.
What is the InChIKey of 4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine?
The InChIKey is XRHMJBULRVQONL-WYMLVPIESA-N. The full InChI is InChI=1S/C12H23N5O/c1-3-5-7-16(8-6-4-2)11-9-10(13)17(18)12(14)15-11/h9,14,18H,3-8,13H2,1-2H3/b14-12+.
What are the key properties of 4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine?
4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine has a molecular weight of 253.35 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine is sourced from PubChem (CID 15556993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).