6-amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione

C17H22N4O3 — CID 137316006

IUPAC6-amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(/N=C/c2ccc(O)cc2)c(=O)n(CCC)c1=O
InChIInChI=1S/C17H22N4O3/c1-3-9-20-15(18)14(16(23)21(10-4-2)17(20)24)19-11-12-5-7-13(22)8-6-12/h5-8,11,22H,3-4,9-10,18H2,1-2H3/b19-11+
InChIKeyXNUTUNBMCLHKDI-YBFXNURJSA-N
MW330.39 g/mol
LogP1.87
Rot. Bonds6

About 6-amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione

6-amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione (PubChem CID 137316006) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione
PubChem CID137316006
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name6-amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(/N=C/c2ccc(O)cc2)c(=O)n(CCC)c1=O
InChIInChI=1S/C17H22N4O3/c1-3-9-20-15(18)14(16(23)21(10-4-2)17(20)24)19-11-12-5-7-13(22)8-6-12/h5-8,11,22H,3-4,9-10,18H2,1-2H3/b19-11+
InChIKeyXNUTUNBMCLHKDI-YBFXNURJSA-N
XLogP1.87
TPSA102.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione (CID 137316006) is 6-amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione is CCCn1c(N)c(/N=C/c2ccc(O)cc2)c(=O)n(CCC)c1=O.
What is the InChIKey of 6-amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione?
The InChIKey is XNUTUNBMCLHKDI-YBFXNURJSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-9-20-15(18)14(16(23)21(10-4-2)17(20)24)19-11-12-5-7-13(22)8-6-12/h5-8,11,22H,3-4,9-10,18H2,1-2H3/b19-11+.
What are the key properties of 6-amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione?
6-amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione has a molecular weight of 330.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione is sourced from PubChem (CID 137316006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).