4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one

C15H24N6O — CID 143605774

IUPAC4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one
SMILESC/C=C(\C)CN1CC(=O)Nc2c(N)nc(NCCCC)nc21
InChIInChI=1S/C15H24N6O/c1-4-6-7-17-15-19-13(16)12-14(20-15)21(8-10(3)5-2)9-11(22)18-12/h5H,4,6-9H2,1-3H3,(H,18,22)(H3,16,17,19,20)/b10-5+
InChIKeySSKLXTZOEPRVEB-BJMVGYQFSA-N
MW304.40 g/mol
LogP2.00
Rot. Bonds6

About 4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one

4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one (PubChem CID 143605774) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one
PubChem CID143605774
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one
SMILESC/C=C(\C)CN1CC(=O)Nc2c(N)nc(NCCCC)nc21
InChIInChI=1S/C15H24N6O/c1-4-6-7-17-15-19-13(16)12-14(20-15)21(8-10(3)5-2)9-11(22)18-12/h5H,4,6-9H2,1-3H3,(H,18,22)(H3,16,17,19,20)/b10-5+
InChIKeySSKLXTZOEPRVEB-BJMVGYQFSA-N
XLogP2.00
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one;methyl(2-methylidenebut-3-ynyl)phosphinous acid
CID 143605772
6-amino-2-(butylamino)-9-[4-(4-butylpiperazin-1-yl)butyl]-7,8-dihydropurine-8-carbaldehyde
CID 175271306
4-amino-2-butoxy-8-[(4-pyrrolidin-1-ylphenyl)methyl]-5,7-dihydropteridin-6-one
CID 126622875
4-amino-2-[(1R)-1-deuteriobutoxy]-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
CID 159854627
6-amino-2-(butylamino)-9-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydropurine-8-carbaldehyde
CID 174595762
4-amino-2-butoxy-8-[[4-[deuterio(pyrrolidin-1-yl)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one
CID 158723870
N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]cyclohexa-1,5-dien-1-yl]methyl]-N-(cyclopropylmethyl)acetamide
CID 91059640
4-amino-2-(2-methoxyethylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 91043801
2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
CID 142941534
4-amino-2-(butylamino)-7-[3-(2,2-dimethyloxan-4-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58497544
7-benzyl-2-N-butyl-6-methylidene-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 163584990
4-amino-2-(butylamino)-7-[4-(4-tert-butylpiperazin-1-yl)butyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58291012

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one?
The IUPAC name of 4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one (CID 143605774) is 4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one.
What is the SMILES notation for 4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one?
The canonical SMILES for 4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one is C/C=C(\C)CN1CC(=O)Nc2c(N)nc(NCCCC)nc21.
What is the InChIKey of 4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one?
The InChIKey is SSKLXTZOEPRVEB-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H24N6O/c1-4-6-7-17-15-19-13(16)12-14(20-15)21(8-10(3)5-2)9-11(22)18-12/h5H,4,6-9H2,1-3H3,(H,18,22)(H3,16,17,19,20)/b10-5+.
What are the key properties of 4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one?
4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one has a molecular weight of 304.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(butylamino)-8-[(E)-2-methylbut-2-enyl]-5,7-dihydropteridin-6-one is sourced from PubChem (CID 143605774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).