2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide

C11H19N5O — CID 80821350

IUPAC2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1ncnc(N)c1C
InChIInChI=1S/C11H19N5O/c1-3-4-5-16(6-9(12)17)11-8(2)10(13)14-7-15-11/h7H,3-6H2,1-2H3,(H2,12,17)(H2,13,14,15)
InChIKeyHFZUNXCATDNNPK-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.46
Rot. Bonds6

About 2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide

2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide (PubChem CID 80821350) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide.

Molecular Properties

Compound Name2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide
PubChem CID80821350
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1ncnc(N)c1C
InChIInChI=1S/C11H19N5O/c1-3-4-5-16(6-9(12)17)11-8(2)10(13)14-7-15-11/h7H,3-6H2,1-2H3,(H2,12,17)(H2,13,14,15)
InChIKeyHFZUNXCATDNNPK-UHFFFAOYSA-N
XLogP0.46
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide
CID 80821348
2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 80902095
2-[butyl(pyrimidin-2-yl)amino]acetamide
CID 84590934
2-[(5-amino-2-methyl-1H-imidazol-4-yl)-butylamino]acetamide
CID 114995054
methyl 4-[(2-amino-2-oxoethyl)-butylamino]pyrimidine-5-carboxylate
CID 114214276
2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide
CID 103103651
4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80799335
2-[(4-aminopyrimidin-2-yl)-butylamino]acetamide
CID 116796582
2-(4-amino-N-butyl-2-methylanilino)acetamide
CID 55002760
2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide
CID 102768070
2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide
CID 82817305
5-methyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80815609

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide?
The IUPAC name of 2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide (CID 80821350) is 2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide.
What is the SMILES notation for 2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide?
The canonical SMILES for 2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide is CCCCN(CC(N)=O)c1ncnc(N)c1C.
What is the InChIKey of 2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide?
The InChIKey is HFZUNXCATDNNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-4-5-16(6-9(12)17)11-8(2)10(13)14-7-15-11/h7H,3-6H2,1-2H3,(H2,12,17)(H2,13,14,15).
What are the key properties of 2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide?
2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide has a molecular weight of 237.31 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide is sourced from PubChem (CID 80821350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).