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

C11H19N5O — CID 80993296

IUPAC2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide
SMILESCCCc1nc(N)c(C)c(NCC(=O)NC)n1
InChIInChI=1S/C11H19N5O/c1-4-5-8-15-10(12)7(2)11(16-8)14-6-9(17)13-3/h4-6H2,1-3H3,(H,13,17)(H3,12,14,15,16)
InChIKeyFNLKBXGSHFICOR-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.48
Rot. Bonds5

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

2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide (PubChem CID 80993296) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide
PubChem CID80993296
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide
SMILESCCCc1nc(N)c(C)c(NCC(=O)NC)n1
InChIInChI=1S/C11H19N5O/c1-4-5-8-15-10(12)7(2)11(16-8)14-6-9(17)13-3/h4-6H2,1-3H3,(H,13,17)(H3,12,14,15,16)
InChIKeyFNLKBXGSHFICOR-UHFFFAOYSA-N
XLogP0.48
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80994288
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide
CID 80994073
4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide
CID 80994095
3-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117399
2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80993763
5-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981416
1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 113493096
5-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163224
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
2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311493
5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146362

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide (CID 80993296) is 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide is CCCc1nc(N)c(C)c(NCC(=O)NC)n1.
What is the InChIKey of 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide?
The InChIKey is FNLKBXGSHFICOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-4-5-8-15-10(12)7(2)11(16-8)14-6-9(17)13-3/h4-6H2,1-3H3,(H,13,17)(H3,12,14,15,16).
What are the key properties of 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide?
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide has a molecular weight of 237.31 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide is sourced from PubChem (CID 80993296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).