N-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide

C12H21N5O — CID 135129571

IUPACN-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide
SMILESCCCCNc1nc(C)c(NC(C)=O)c(NC)n1
InChIInChI=1S/C12H21N5O/c1-5-6-7-14-12-15-8(2)10(16-9(3)18)11(13-4)17-12/h5-7H2,1-4H3,(H,16,18)(H2,13,14,15,17)
InChIKeyWDANKLPYKNQPLN-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.00
Rot. Bonds6

About N-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide

N-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide (PubChem CID 135129571) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide
PubChem CID135129571
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide
SMILESCCCCNc1nc(C)c(NC(C)=O)c(NC)n1
InChIInChI=1S/C12H21N5O/c1-5-6-7-14-12-15-8(2)10(16-9(3)18)11(13-4)17-12/h5-7H2,1-4H3,(H,16,18)(H2,13,14,15,17)
InChIKeyWDANKLPYKNQPLN-UHFFFAOYSA-N
XLogP2.00
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide?
The IUPAC name of N-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide (CID 135129571) is N-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide is CCCCNc1nc(C)c(NC(C)=O)c(NC)n1.
What is the InChIKey of N-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide?
The InChIKey is WDANKLPYKNQPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-5-6-7-14-12-15-8(2)10(16-9(3)18)11(13-4)17-12/h5-7H2,1-4H3,(H,16,18)(H2,13,14,15,17).
What are the key properties of N-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide?
N-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 135129571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).