4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide

C12H21N5O — CID 80994095

IUPAC4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide
SMILESCCCc1nc(N)c(C)c(NCCCC(N)=O)n1
InChIInChI=1S/C12H21N5O/c1-3-5-10-16-11(14)8(2)12(17-10)15-7-4-6-9(13)18/h3-7H2,1-2H3,(H2,13,18)(H3,14,15,16,17)
InChIKeyWJWJXMXIESRDOC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.00
Rot. Bonds7

About 4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide

4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide (PubChem CID 80994095) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide
PubChem CID80994095
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide
SMILESCCCc1nc(N)c(C)c(NCCCC(N)=O)n1
InChIInChI=1S/C12H21N5O/c1-3-5-10-16-11(14)8(2)12(17-10)15-7-4-6-9(13)18/h3-7H2,1-2H3,(H2,13,18)(H3,14,15,16,17)
InChIKeyWJWJXMXIESRDOC-UHFFFAOYSA-N
XLogP1.00
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163224
3-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117399
2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311493
5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide
CID 106241669
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80993947
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80993296
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770
N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80993418
3-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311687
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343532
2-[2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106241829

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide?
The IUPAC name of 4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide (CID 80994095) is 4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide is CCCc1nc(N)c(C)c(NCCCC(N)=O)n1.
What is the InChIKey of 4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide?
The InChIKey is WJWJXMXIESRDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-5-10-16-11(14)8(2)12(17-10)15-7-4-6-9(13)18/h3-7H2,1-2H3,(H2,13,18)(H3,14,15,16,17).
What are the key properties of 4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide?
4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide has a molecular weight of 251.33 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 80994095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).