2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide

C12H21N5O — CID 80657671

IUPAC2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1nc(C)cc(N)n1
InChIInChI=1S/C12H21N5O/c1-4-5-17(8-12(18)14-3)7-11-15-9(2)6-10(13)16-11/h6H,4-5,7-8H2,1-3H3,(H,14,18)(H2,13,15,16)
InChIKeyFIULIMKNNNVCIL-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.33
Rot. Bonds6

About 2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide

2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide (PubChem CID 80657671) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
PubChem CID80657671
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1nc(C)cc(N)n1
InChIInChI=1S/C12H21N5O/c1-4-5-17(8-12(18)14-3)7-11-15-9(2)6-10(13)16-11/h6H,4-5,7-8H2,1-3H3,(H,14,18)(H2,13,15,16)
InChIKeyFIULIMKNNNVCIL-UHFFFAOYSA-N
XLogP0.33
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
CID 80655767
2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide
CID 62890998
2-[(3-aminophenyl)methyl-propylamino]-N-methylacetamide
CID 43459714
2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide
CID 55046759
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide
CID 82986749
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide
CID 114218012
methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate
CID 80656944
2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine
CID 80657248
N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 80655474
2-[(3-carbamothioylphenyl)methyl-propylamino]-N-methylacetamide
CID 54984391
N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine
CID 80657069
2-[(4-amino-6-methylpyrimidin-2-yl)methyl-methylamino]propan-1-ol
CID 104554411

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide (CID 80657671) is 2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)Cc1nc(C)cc(N)n1.
What is the InChIKey of 2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide?
The InChIKey is FIULIMKNNNVCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-5-17(8-12(18)14-3)7-11-15-9(2)6-10(13)16-11/h6H,4-5,7-8H2,1-3H3,(H,14,18)(H2,13,15,16).
What are the key properties of 2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide?
2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide is sourced from PubChem (CID 80657671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).